- Structure-based designing, solvent less synthesis of 1,2,3,4-tetrahydropyrimidine-5-carboxylate derivatives: A combined in vitro and in silico screening approach
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Objective: In this study, small molecules possessing tetrahydropyrimidine derivatives have been synthesized having halogenated benzyl derivatives and carboxylate linkage. As previously reported, FDA approved halogenated pyrimidine derivatives prompted us
- Ahmad, Zaheer,Ahmed, Sibtain,Akhtar, Naseem,Arshad, Uzma,Hassan, Aqsa,Mehmood, Tahir,Parveen, Shagufta,Shafiq, Nusrat
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- Synthesis method of dihydropyrimidinone compound
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The invention discloses a synthesis method of a dihydropyrimidone compound, which belongs to the technical field of organic synthesis, and comprises the following steps: by taking benzaldehyde or a derivative thereof, ethyl acetoacetate or acetylacetone a
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Paragraph 0034-0036; 0040-0041; 0044; 0070-0075; 0078
(2021/05/19)
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- Preparation method of 3,4-dihydropyrimidine-2(1H)-one compound
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The invention discloses a preparation method of a 3,4-dihydropyrimidine-2(1H)-one compound, wherein the comprises the steps: (1) respectively adding reaction substrate raw materials aromatic aldehydes, 1,3-diketone ester, urea and a trace amount of water
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Paragraph 0021-0022; 0030-0032
(2020/09/30)
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- One pot synthesis of micromolar BACE-1 inhibitors based on the Dihydropyrimidinone scaffold and their Thia and Imino analogues
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A library of dihydropyrimidinones was synthesized via a “one-pot” three component Biginelli reaction using different aldehydes in combination with β-dicarbonyl compounds and urea. Selected 2-thiooxo and 2-imino analogs were also obtained with the Biginell
- Bais, Jessica,Benedetti, Fabio,Berti, Federico,Cerminara, Iole,Drioli, Sara,Felluga, Fulvia,Funicello, Maria,Regini, Giorgia,Vidali, Mattia
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- Metal- And Oxidant-Free Electrochemical Oxidative Desulfurization C-O Coupling of Thiourea-Type Compounds with Alcohols
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An efficient desulfurization C-O coupling reaction of 3,4-dihydropyrimidine-2(1 H)-thiones (including thioureas) with alcohols was developed under electrochemical oxidation conditions. Herein, transition--metal catalysts and additives are not required and
- Cao, Bao-Qian,Quan, Zheng-Jun,Ren, Ming-Zhe,Wang, Xi-Cun,Zhu, Zheng-He
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supporting information
p. 1634 - 1642
(2020/05/25)
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- Ionic liquid-assisted synthesis of dihydropyrimidin(thi)one Biginelli adducts and investigation of their mechanism of urease inhibition
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Twenty-six Biginelli adducts were synthesized through an ionic liquid-assisted synthesis with up to 92% yield. Sixteen of these Biginelli adducts were then assayed to determine their antiureolytic activity against purified urease from jack beans. The substances BA7-S, BA9-S and BA11-S were shown to be as efficient inhibitors as hydroxyurea, a positive control used in in vitro screening assay against urease. Fluorescence studies revealed that BA7-S, BA9-S, BA11-S and BA5-S possessed high binding constant values of 5.95, 6.72, 4.55, and 4.28 M-1, respectively, while BAS12-S, without substituents, showed a low value of log Kb = 2.16 M-1. In addition, in the most thermodynamically favorable BA5-S and BA7-S urease complexes, the corresponding Biginelli adducts were capable of interacting with the active site of urease through non-ionic interactions, such as hydrophobic interactions, or hydrogen and van der Waals interactions, respectively. In silico studies also supported that the BAs interact with the active site, confirming the fluorescence and kinetic assay studies, which clearly indicate that BA5-S and BA7-S are competitive inhibitors (Ki = 0.96 and 0.57 mM, respectively). In silico studies also showed that the substituents in the aromatic ring interact with Ni atoms to form a stable complex.
- Braga, Taniris Cafiero,Silva, Thamara Ferreira,MacIel, Thamilla Maria Silva,Da Silva, Edjan Carlos Dantas,Da Silva-Júnior, Edeildo Ferreira,Modolo, Luzia Valentina,Figueiredo, Isis Martins,Santos, Josué Carinhanha Caldas,De Aquino, Thiago Mendon?a,De Fátima, ?ngelo
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p. 15187 - 15200
(2019/10/08)
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- UV-Light-Irradiated Trifluoromethylation of Diheteroaryl Disulfides with CF3SO2Na
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A simple protocol for the UV light irradiated preparation of heteroaryl trifluoromethyl thioethers from disulfides and inexpensive, environmentally sodium triflinate (CF3SO2Na) has been developed. The features of simple and clean rea
- Cao, Bao-Qian,Qiu, Yi-Feng,Zhang, Xi,Zhu, Zheng-He,Quan, Zheng-Jun,Wang, Xi-Cun
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supporting information
p. 1208 - 1214
(2019/02/07)
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- Br?nsted acidic 1-ethyl-1,2,4-trizolium phenylsulfonate as catalyst for biginelli reaction
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A Br?nsted acidic 1-ethyl-1,2,4-triazolium phenylsulfonate has been synthesized and characterized. A catalytic study is performed for 1-ethyl-1,2,4-triazolium phenylsulfonate as acid catalyst for a multicomponent reaction of synthesis of series of 3,4-dih
- Puthukkudy,Nagarajan,Kandasamy
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p. 1999 - 2002
(2018/08/09)
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- T3P-DMSO mediated one-pot tandem approach for the synthesis of 3,4-Dihydropyrimidin-2(1H)-ones/thiones from alcohols
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Background: Biginelli reaction is one of the most important multiple-component chemical reactions which creates 3,4-dihydropyrimidin-2(1H)-ones. Even though Biginelli reaction was reported over a century using different substrates, literature lacks the ex
- Vinaya, Kambappa,Shivaramu, Prasanna D.,Chandrashekara, Ganganahalli K.,Chandrappa, Siddappa,Rangappa, Kanchugarakoppal S.
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p. 241 - 245
(2018/04/20)
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- Punica granatum peel: an organocatalyst for green and rapid synthesis of 3,4-dihydropyrimidin-2 (1H)-ones/thiones under solvent-free condition
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A novel and green approach was adopted for the synthesis of 3,4-dihydropyrimidin-2(1H)-one/thiones derivatives using Punica granatum peel as an inexpensive, efficient and mild catalyst under solvent-free condition. The methodology is characterized by high
- Mohammadian, Narges,Akhlaghinia, Batool
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p. 3325 - 3347
(2017/04/21)
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- Metal-Free Visible-Light-Mediated Desulfurization and Aromatization of Dihydropyrimidine-2-thiones for Synthesis of 2-Unsubstituted Pyrimidines
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The visible-light-mediated aerobic desulfurization and aromatization of Biginelli 3,4-dihydropyrimidine-2(1H)-thiones for a one-step synthesis of 2-unsubstituted pyrimidines was established. The protocol uses molecular oxygen as an inexpensive oxidant, wi
- Yang, Tian-Yao,Wang, Xi-Cun,Quan, Zheng-Jun
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supporting information
p. 847 - 850
(2017/04/07)
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- A domino desulfitative coupling and decarboxylative coupling of 3,4-dihydropyrimidine-2-thiones with copper(I) carboxylates
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A novel and general carbon-nitrogen and carbon-carbon cross-coupling reaction between 3,4-dihydropyrimidine-2-thiones and copper(I) carboxylates were performed in the presence of palladium acetate. The copper(I) carboxylates act not only as desulfurative
- Zhang, Zhang,Lu, Shi-Hong,Xu, Bin,Wang, Xi-Cun
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supporting information
p. 1074 - 1078
(2017/05/22)
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- Design, synthesis and anticancer activity of new monastrol analogues bearing 1,3,4-oxadiazole moiety
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A series of dihydropyrimidine (DHPM) derivatives bearing 1,3,4-oxadiazole moiety was designed and synthesized as monastrol analogues. The new compounds were screened for their cytotoxic activity toward 60 cancer cell lines according to NCI (USA) protocol. Seven compounds were further examined against the most sensitive cell lines, leukemia HL-60(TB) and MOLT-4. The most active compounds were 9m against HL-60(TB) (IC50 = 56 nM) and 9n against MOLT-4 (IC50 = 80 nM), more potent than monastrol (IC50 = 147 and 215 nM, respectively). Cell cycle analysis of HL-60(TB) cells treated with 9m and MOLT-4 cells treated with 9n showed cell cycle arrest at G2/M phase and pro-apoptotic activity as indicated by annexin V-FITC staining.
- Ragab, Fatma A.F.,Abou-Seri, Sahar M.,Abdel-Aziz, Salah A.,Alfayomy, Abdallah M.,Aboelmagd, Mohamed
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p. 140 - 151
(2017/06/30)
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- Design, Synthesis, and Structure–Activity Relationship Analysis of Thiazolo[3,2-a]pyrimidine Derivatives with Anti-inflammatory Activity in Acute Lung Injury
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Acute lung injury (ALI) has a high lethality rate, and interleukin-6 (IL-6) and tumor necrosis factor-α (TNF-α) contribute most to tissue deterioration in cases of ALI. In this study, we designed and synthesized a new series of thiazolo[3,2-a]pyrimidine derivatives based on a previously identified lead compound, and we evaluated their anti-inflammatory activities. Structure–activity relationship studies led to the discovery of two highly potent inhibitors. The two promising compounds were found to inhibit lipopolysaccharide (LPS)-induced IL-6 and TNF-α release in a dose-dependent manner in mouse primary peritoneal macrophages (MPMs). Furthermore, administration of these compounds resulted in lung histopathological improvements and attenuated LPS-induced ALI in vivo. Taken together, these data indicate that these novel thiazolo[3,2-a]pyrimidine derivatives could be developed as candidate drugs for the treatment of ALI.
- Chen, Lingfeng,Jin, Yiyi,Fu, Weitao,Xiao, Siyang,Feng, Chen,Fang, Bo,Gu, Yugui,Li, Chenglong,Zhao, Yunjie,Liu, Zhiguo,Liang, Guang
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p. 1022 - 1032
(2017/07/11)
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- A reactant promoted solvent free synthesis of 3,4-dihydropyrimidin-2(1H)-thione analogues using ammonium thiocyanate
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This is the first-time ammonium thiocyanate (NH4SCN) has been used as a self-promoting reactant for the synthesis of 3,4-dihydropyrimidin-2(1H)-thiones. This report describes a greener, efficient and economic protocol for one pot three-component synthesis of Biginelli compounds using various aldehydes, β-ketoesters and ammonium thiocyanate. Ammonium thiocyanate being a weak acid, accelerate the rate of reaction to obtain Biginelli compounds in solvent-free condition at 110?°C. The key advantages of the present method are high yields, short reaction time, solvent free condition, easy workup and ability to tolerate a variety of functional groups. Ammonium thiocyanate is readily available, cheaper, safer and industrial acceptable material which gives economical as well as ecological rewards to the present method.
- Khatri, Chetan K.,Potadar, Santoshkumar M.,Chaturbhuj, Ganesh U.
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supporting information
p. 1778 - 1780
(2017/04/13)
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- Sulfonic acid-functionalized titanomagnetite nanoparticles as recyclable heterogeneous acid catalyst for one-pot solvent-free synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones
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Sulfonic acid-functionalized titanomagnetite (Fe3?xTixO4@SO3H) nanoparticles were prepared by grafting sulfonic acid groups on Fe3?xTixO4 nanoparticles. This new heterogeneous ac
- Azarifar, Davood,Abbasi, Younes,Badalkhani, Omolbanin
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p. 2029 - 2038
(2016/09/16)
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- New Efficient Synthesis of 3,4-Dihydropyrimidin-2(1H)-ones Catalyzed by Benzotriazolium-Based Ionic Liquids under Solvent-Free Conditions
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An efficient synthesis of novel 3,4-dihydropyrimidin-2(1H)-ones (DHPMs) and their derivatives, using Br?nsted acidic ionic liquid [C2 O2 BBTA][TFA] as a catalyst, from the condensation of aryl aldehyde, β-ketoester and urea was described. Reactions procee
- Liu, Zhiqing,Ma, Rong,Cao, Dawei,Liu, Chenjiang
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- Synthesis, characterization and in silico designing of diethyl-3-methyl-5-(6-methyl-2-thioxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamido) thiophene-2,4-dicarboxylate derivative as anti-proliferative and anti-microbial agents
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A series of eight compounds diethyl-3-methyl-5-(6-methyl-2-thioxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamido) thiophene-2,4-dicarboxilate (KM10–17) analogues have been prepared by conventional methods and characterized by IR, Mass, NMR and elemental analysis. In silico docking studies on Human topoisomerase IIbeta (PDB Id: 3QX3) have been performed for all molecules (KM10–17) synthesized. The compounds were tested for in vitro anti-proliferative activity on VERO and 786-O cell lines. Out of all the synthesized compounds, KM11 & KM16 showed moderate activity on both cell lines. In vitro anti-microbial activity was also checked against Bacillus subtilis (BS), Staphylococcus aurous (SA), Pseudomonas aeruginosa (PA), Escherichia coli (EC) and Candida albicans (CA) by well diffusion method. The compound KM11 was found to have highest zone of inhibition against BS, SA, PA and EC. The molecules KM13 and KM16 exhibited good activity against CA. The compounds KM14 and KM16 indicated good zone of inhibition against BS.
- Malani, Kalpesh,Thakkar, Sampark S.,Thakur, Mukund Chandra,Ray, Arabinda,Doshi, Hiren
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p. 265 - 274
(2016/09/16)
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- First catalyst- and solvent-free synthesis of 3,4-dihydropyrimidin-2(1H)-ones and -thiones
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A completely green and environmentally benign Biginelli synthesis of 3,4-dihydropyrimidine-2(1H)-ones and -thiones by one-pot three-component reaction of aromatic aldehydes with ethyl acetoacetate and urea or thiourea without any catalyst under solvent-fr
- Hajjami,Ghiasbeygi
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p. 429 - 432
(2016/06/13)
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- [bmim(SO3H)][OTf]/[bmim][X] and Zn(NTf2)2/[bmim][X] (X = PF6and BF4); Efficient catalytic systems for the synthesis of tetrahydropyrimidin-ones (-thiones) via the Biginelli reaction
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A facile, high yielding, and simple method for the synthesis of a library of dihydropyrimidinones (and -thiones) via the one-pot Biginelli reaction of aldehydes is reported. The method employs the Br?nsted acidic IL [bmim(SO3H][OTf] or Zn(NTfs
- Savanur, Hemantkumar M.,Kalkhambkar, Rajesh G.,Aridoss, Gopalakrishnan,Laali, Kenneth K.
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supporting information
p. 3029 - 3035
(2016/07/06)
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- Dehydrosulfurative C-N Cross-Coupling and Concomitant Oxidative Dehydrogenation for One-Step Synthesis of 2-Aryl(alkyl)aminopyrimidines from 3,4-Dihydropyrimidin-1H-2-thiones
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A method for the synthesis of 2-aryl(alkyl)aminopyrimidines from readily available 3,4-dihydropyrimidin-1H-2-thiones (DHPMs) via dehydrosulfurative C-N cross-coupling and concomitant oxidative dehydrogenation under a Pd/Cu catalytic system is described. This reaction protocol provides unprecedented diversity of fully substituted 2-aryl(alkyl)aminopyrimidines in a single step from a wide range of DHPMs and amine coupling partners.
- Phan, Nguyen Huu Trong,Kim, Hyeji,Shin, Hyunik,Lee, Hee-Seung,Sohn, Jeong-Hun
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supporting information
p. 5154 - 5157
(2016/10/14)
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- Ammonium acetate promoted rapid and efficient synthesis of γ-Benzopyranones and 3,4-dihydropyrimidin-2(1H)-ones/thiones under solventfree conditions: A parallel scrutiny of microwave irradiation versus conventional heating
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Simple and highly efficient approach for the synthesis of γ-Benzopyranones and 3,4-Dihydropyrimidin-2(1H)-ones/thiones using ammonium acetate as a promoter under thermal as well as microwave irradiation using solvent-free conditions has been demonstrated.
- Thorat, Nitin M.,Dengale, Rohit A.,Thopate, Shankar R.,Rohokale, Sandeep V.
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p. 574 - 583
(2015/10/05)
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- Natural organic acids promoted synthesis of 3, 4-dihydropyrimidin-2(1H)-ones/thiones under solvent-free conditions
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Naturally occurring organic acids are reported to be highly efficient promoters for the Biginelli reaction under thermal and microwave irradiation using solvent free conditions. Among the various organic acids used, malic acid was found to be the most eff
- Thorat, Nitin M.,Thopate, Shankar R.
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p. 210 - 216
(2015/06/23)
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- Design, synthesis, in Silico and in vitro studies of substituted 1, 2, 3, 4-Tetrahydro pyrimidine phosphorus derivatives
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Molecular docking studies of the designed two series (4a-l, 6a-l, 9 and 10) of novel substituted phosphorylated 1, 4-dihydropyridine and 1,2,3,4-Tetrahydropyrimidine derivatives against the drug targets of DHFR from Bacillus cereus, LpxC from Pseudomonas aeruginosa, IDH from E. coli and MurB from Staphylococcus aureus were encouraged for their synthesis. These compounds were synthesized from substituted aromatic aldehydes, thiourea/urea and ethyl acetoacetate in the presence of polyphosphoric acid (PPA). These were further phosphorylated with diethyl (2-chloroethoxy) methyl phosphonate to get the desired products. In vitro anti-bacterial activity against the specified bacterial strains related to docked protein exhibited good inhibitory activity at different dose concentrations. Quantitative Structure Activity Relationship (QSAR) descriptors of the designed structures have demonstrated their satisfactory drug like properties. The results from Molecular Docking, QSAR descriptors and in vitro anti-bacterial activities led to the identification of safer and potential antibacterial agents of the title compounds screened. Compounds 4a, 4d, 4i, 6a, 6d, 9 and 10 were found to be potent antibacterial agents.
- Babu, Kilaru Ravendra,Kumar, Yellapu Nanda,Raghavendra, Aminedi,Phanindra, Venukadasula,Madhava, Golla,Ravi, Nuchu,Bhaskar, Matcha,Raju, Chamarthi Naga
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p. 862 - 871
(2015/11/17)
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- Synthesis of 1-alkyl triazolium triflate room temperature ionic liquids and their catalytic studies in multi-component Biginelli reaction
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Synthesis of three Brnsted acid-based ionic liquids, namely, 1-ethyl-1,2,4-triazolium triflate (1a), 1-propyl-1,2,4-triazolium triflate (1b) and 1-butyl-1,2,4-triazolium triflate (1c), is described. These ionic liquids have been employed as catalysts for
- Nagarajan, Sankaranarayanan,Shaikh, Tanveer M.,Kandasamy, Elango
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p. 1539 - 1545
(2015/12/01)
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- Boehmite nanoparticle catalyst for the one-pot multicomponent synthesis of 3,4-dihydropyrimidin-2-(1H)-ones and thiones under solvent-free conditions
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A simple, green, and efficient synthesis protocol for the synthesis of 3,4-dihydropyrimidin-2-(1H)-ones using boehmite nanoparticles as catalyst was developed. It did not use any toxic metal catalysts or corrosive acidic reagents. The method gave good to excellent yields and has short reaction time, operational simplicity, and a recyclable catalyst.
- Keivanloo, Ali,Mirzaee, Mahdi,Bakherad, Mohammad,Soozani, Atena
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p. 362 - 367
(2014/04/03)
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- Efficient, stable, and reusable Lewis acid-surfactant-combined catalyst: One-pot Biginelli and solvent-free esterification reactions
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Cerium(III) trislaurylsulfonate (Ce(LS)3), a Lewis acid and surfactant combined catalyst, was prepared and characterized by SEM, SEM-EDX, XRD, NMR, FT-IR, TG, and elemental analysis. Ce(LS)3 was found to be stable and efficient to catalyze one-pot Biginelli and solvent-free esterification reactions. Furthermore, Ce(LS)3 is easy to recycle after reaction by pouring into cold water and filtration. Present work will shed deep insight into the understanding of the catalytic nature of LASCs, and extend its application in important organic transformations.
- Qiu, Yunfeng,Sun, Hongnan,Ma, Zhuo,Xia, Wujiong
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- A domino desulfurative coupling-acylation-hydration-Michael addition process for the synthesis of polysubstituted tetrahydro-4H-pyrido[1,2-a]pyrimidines
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A novel method for the synthesis of the polysubstituted tetrahydro-4H-pyrido[1,2-a]pyrimidines through a domino desulfurative coupling-acylation-hydration and Michael addition sequence was established. This journal is
- Yan, Zhong-Fei,Quan, Zheng-Jun,Da, Yu-Xia,Zhang, Zhang,Wang, Xi-Cun
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supporting information
p. 13555 - 13558
(2015/02/05)
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- Acetylcholinesterase inhibitors: Structure based design, synthesis, pharmacophore modeling, and virtual screening
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Acetylcholinesterase (AChE) is a main drug target, and its inhibitors have demonstrated functionality in the symptomatic treatment of Alzheimer's disease (AD). In this study, a series of novel AChE inhibitors were designed and their inhibitory activity was evaluated with 2D quantitative structure-activity relationship (QSAR) studies using a training set of 20 known compounds for which IC50 values had previously been determined. The QSAR model was calculated based on seven unique descriptors. Model validation was determined by predicting IC50 values for a test set of 20 independent compounds with measured IC50 values. A correlation analysis was carried out comparing the statistics of the measured IC50 values with predicted ones. These selectivity-determining descriptors were interpreted graphically in terms of principal component analyses (PCA). A 3D pharmacophore model was also created based on the activity of the training set. In addition, absorption, distribution, metabolism, and excretion (ADME) descriptors were also determined to evaluate their pharmacokinetic properties. Finally, molecular docking of these novel molecules into the AChE binding domain indicated that three molecules (6c, 7c, and 7h) should have significantly higher affinities and solvation energies than the known standard drug donepezil. The docking studies of 2H-thiazolo[3,2-a]pyrimidines (6a-6j) and 5H-thiazolo[3,2-a] pyrimidines (7a-7j) with human AChE have demonstrated that these ligands bind to the dual sites of the enzyme. Simple and ecofriendly syntheses and diastereomeric crystallizations of 2H-thiazolo [3,2-a]pyrimidines and 5H-thiazolo[3,2-a] pyrimidines are described. The solid-state structures for the HBr salts of compounds 6a, 6e, 7a, and 7i have been determined using single-crystal X-ray diffraction techniques, and X-ray powder patterns were measured for the bulk solid remaining after solvent was removed from solutions containing 6a and 7a. These studies provide valuable insight for designing more potent and selective inhibitors for the treatment of AD.
- Valasani, Koteswara Rao,Chaney, Michael O.,Day, Victor W.,Shidu Yan, Shirley
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p. 2033 - 2046
(2013/09/23)
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- β-Cyclodextrin-assisted synthesis of Biginelli adducts under solvent-free conditions
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A simple, green and efficient protocol was developed using β-cyclodextrin as a solid catalyst for the solvent-free synthesis of various Biginelli adducts. The advantages of our protocol included the following: (i) a metal-free methodology; (ii) high yield
- Liberto, Natália Aparecida,De Paiva Silva, Sarah,De Fátima, ?ngelo,Fernandes, Sergio Antonio
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p. 8245 - 8249
(2013/09/02)
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- Boron trioxide-alumina as a heterogeneous catalyst in a facile solvent free one-pot synthesis of 3,4-dihydropyrimidin-2(1H)-ones
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B2O3/Al2O3 has been found to be a new and highly efficient heterogeneous catalyst for the one-pot synthesis of 3,4-dihydropyrimidin-2(1H)-ones by the Biginelli reaction under solvent-free conditions. 3,4-Dihydropyrimidin-2(1H)-ones have important pharmacological and biological activities.
- Zhou, Xufeng,Cheng, Tianxing,Zheng, Xiangyong,Ke, Qiang,Wang, Xuebao
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experimental part
p. 213 - 215
(2012/09/08)
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- Identification of substituted [3, 2-a] pyrimidines as selective antiviral agents: Molecular modeling study
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A series of novel substituted dihydropyrimidine and 5H-thiazolo [3, 2-a] pyrimidine derivatives were designed and synthesized as a potential target to discover drugs fighting against the viral diseases. The main objective of the present work is to carry out the QSAR studies for all the series of the compounds starting from 4a to 6j to find out their molecular descriptors and predict the biological properties. All of them are showing the best QSAR descriptors, hence chosen for the prediction of anti-viral activity against Newcastle disease virus (NDV). Initially their inhibitory activity was predicted by molecular docking of these compounds against haemaglutinin-neuraminidase (HN) protein using molecular operating environment (MOE) software. Based on the best affinity and highest docking scores 4b, 5b and 6b were assayed in vivo on NDV infected chicks and it was found that there is significant improvement in the survival of the chicks with the treatment (P0.05). 4b and 6b showed better curative effect than 5b at the dose concentration of 40. mg/kg body weight of chicks. The results from molecular docking study and biological assays can be inferred to consider these molecules as potential antiviral drugs.
- Ravendra Babu, Kilaru,Koteswara Rao, Valasani,Nanda Kumar, Yellapu,Polireddy, Kishore,Venkata Subbaiah, Kadiam,Bhaskar, Matcha,Lokanatha, Valluru,Naga Raju, Chamarthi
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scheme or table
p. 118 - 127
(2012/09/22)
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- Free radical scavenging and antiproliferative properties of Biginelli adducts
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A series of Biginelli adducts bearing different substituents at C-4 position were synthesized by using p-sulfonic acid calix[4]arene as a catalyst. The in vitro potential to scavenge reactive nitrogen/oxygen species (RNS and ROS) and the ability to inhibi
- Da Silva, Daniel L.,Reis, Fabiano S.,Muniz, Dandara R.,Ruiz, Ana Lúcia T.G.,De Carvalho, Jo?o E.,Sabino, Ad?o A.,Modolo, Luzia V.,De Fátima, ?ngelo
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experimental part
p. 2645 - 2650
(2012/05/31)
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- Synthesis and catalytic applications of sulfonic acid group-functionalized nano- and microsilica structures
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Sulfonic acid group-functionalized nano- and microsilica with different sizes and shapes were synthesized. Silica nanospheres with an average size of 225 nm, silica microtubes, and fine silica gel were prepared and functionalized by sulfonic acid. Their c
- Torkian, Laleh,Salehi, Peyman,Dabiri, Minoo,Kharrazi, Sharmin
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experimental part
p. 2115 - 2122
(2011/07/30)
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- An environmentally benign one-pot synthesis of 3,4-dihydropyrimidin-2(1H)- ones and -thiones using tetrabutylammonium hexatungstate [TBA] 2[W6O19] as a recyclable catalyst
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Tetrabutylammonium hexatungstate [TBA]2[W6O 19], an isopolytungstate, was found to be a highly efficient and recyclable heterogeneous catalyst for Biginelli reaction of ethyl acetoacetate, an aryl aldehyde, and urea or thi
- Mohammadzadeh-Dehsorkh, Neda,Davoodnia, Abolghasem,Tavakoli-Hoseini, Niloofar,Moghaddas, Maryam
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experimental part
p. 1135 - 1140
(2012/02/16)
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- Discovery and development of thiazolo[3,2-a]pyrimidinone derivatives as general inhibitors of Bcl-2 family proteins
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A class of compounds with a common thiazolo[3,2-a]pyrimidinone motif has been developed as general inhibitors of Bcl-2 family proteins. The lead compound was originally identified in a random screening of a small compound library using a fluorescence polarization-based competitive binding assay. Its binding to the Bcl-xL protein was further confirmed by 15N-HSQC NMR experiments. Structural modifications on the lead compound were guided by the outcomes of molecular modeling studies. Among the 42 compounds obtained, a number of them exhibited much improved binding affinities to Bcl-2 family proteins as compared to the lead compound. The most potent compound, BCL-LZH-40, inhibited the binding of BH3 peptides to Bcl-xL, Bcl-2, and Mcl-1 with inhibition constants (Ki) of 17, 534, and 200nM, respectively. Keeping it in the family! Compounds with a common thiazolo[3,2-a]pyrimidinone motif have been developed as general inhibitors of Bcl-2 family proteins. The lead compound BCL-LZH-01 (shown in green) was identified as a Bcl-xL protein binder in a random screening using a fluorescence polarization-based binding assay, and further confirmed by 15N-HSQC NMR experiments. Of the 42 derivative described, BCL-LZH-40 (shown in blue) is the most potent, inhibiting the binding of BH3 peptides to Bcl-xL, Bcl-2, and Mcl-1 with inhibition constants (Ki) of 17, 534, and 200nM, respectively.
- Zhou, Bingcheng,Li, Xun,Li, Yan,Xu, Yaochun,Zhang, Zhengxi,Zhou, Mi,Zhang, Xinglong,Liu, Zhen,Zhou, Jiahai,Cao, Chunyang,Yu, Biao,Wang, Renxiao
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experimental part
p. 904 - 921
(2012/01/06)
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- Synthesis of ethyl-5-(substituted phenyl)-7-methyl-3-oxo-3,5-dihydro-2H- thiazolo[3,2-a]-pyrimidine-6-carboxylates
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A series of ethyl-5-(substituted phenyl)-7-methyl-3-oxo-3,5-dihydro-2H- thiazolo [3,2-a] pyrimidine-6-carboxylates (2a-l) were synthesized by cyclocondensation of ethyl-6-methyl-4-(substituted phenyl)-2-thioxo-1,2,3,4- tetrahydropyrimidine-5-carboxylates,
- Pathak, Arun,Narayanaswamy, Venugopala Katharigatta,Joshi, Aakanksha,Rao, Gopal Krishna,Devi, Kalpana
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scheme or table
p. 273 - 276
(2011/12/14)
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- An efficient, inexpensive 'Green Chemistry' route to multicomponent Biginelli condensation catalyzed by CuCl2.2H2O-HCl
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Several Biginelli compounds (dihydropyrimidinones) have been synthesized efficiently and in high yields under mild, solvent-free and eco-friendly conditions by using 'Grindstone Chemistry Technique' catalyzed by CuCl 2.2H2O and Conc.
- Pathak, Vijai Nath,Gupta, Ragini,Varshney, Bindu
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p. 434 - 438
(2008/09/20)
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- Synthesis and inhibitory activity against Epstein-Barr virus of some new 1,2,3,4-tetrahydropyrimidine-2-thiones
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1,2,3,4-Tetrahydropyrimidine-2-thiones 4a-n were synthesized through the reaction of aromatic aldehydes 1a-n, ethyl acetoacetate (2) and thiourea (3). The structures of all newly synthesized heterocyclic compounds elucidated by the use of IR, 1H NMR, mass
- Attaby, Fawzy A.,Ramla, Mostafa M.,Harukuni
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experimental part
p. 2956 - 2967
(2009/09/06)
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- Biginelli reaction in aqueous medium: a greener and sustainable approach to substituted 3,4-dihydropyrimidin-2(1H)-ones
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An environmentally benign aqueous Biginelli protocol for the synthesis of substituted 3,4-dihydropyrimidin-2(1H)-ones using polystyrenesulfonic acid (PSSA) as a catalyst has been achieved. These microwave-assisted reactions proceed efficiently in water in
- Polshettiwar, Vivek,Varma, Rajender S.
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p. 7343 - 7346
(2008/03/13)
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- Reactions of hydrazonoyl halides 41:1 Synthesis of 1,2,4-triazoles, 2,3-dihydro-1,3,4-thiadiazoles, and triazolo[4,3-a]pyrimidines
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Triazoles, thiadiazoles, and triazolo[4,3-a]pyrimidines were synthesized via reaction of hydrazonoyl halides with each of 3-methyl-4- (methylthiothioxomethyl)-2-pyrazolin-5-one, 3-methyl-4-[methylthio(phenylamino) methyl]-2-pyrazolin-5-one, and pyrimidine
- Abdelhamid, Abdou O.,Elghandour, Ahmed H.,Hussein, Ahmed M.,Zaki, Yasser H.
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p. 2097 - 2109
(2007/10/03)
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- Trimethylsilyl chloride: A facile and efficient reagent for one-pot synthesis of 3,4-dihydropyrimidin-2(1H)-ones
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Trimethylsilyl chloride (TMSCl) was used as a Lewis acid to efficiently perform one-pot, three-components, Biginelli condensation reactions of aldehydes, 1,3-dicarbonyl compounds, and urea or thiourea. This resulted in simple one-pot synthesis of the corr
- Zhu, Yulin,Pan, Yeanjiang,Huang, Shenlin
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p. 3167 - 3174
(2007/10/03)
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- Simple protocol for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones using SnCl2·2H2O-LiCl as an inexpensive catalyst system
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A one-pot synthesis of the 3,4-dihydropyrimidin-2(1H)-ones catalyzed by tin chloride-lithium chloride combination catalyst system involving three component heteroannular cyclization is reported.
- Shailaja,Manjula,Rao, B. Vittal,Parvathi, Neelakantan
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p. 1559 - 1564
(2007/10/03)
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