- Structural and nonlinear optical properties of cross-conjugated system benzophenone thiosemicarbazone: A vibrational spectroscopic study
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The nonlinear optical (NLO) compound of interest benzophenone thiosemicarbazone (BTSC) was grown and the molecular structure generated with the aid of density functional theory (DFT). FT-Raman and IR spectra were recorded and analyzed. The harmonic wavenu
- Ravikumar,Hubert Joe
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- Vibrational, NMR and UV-Visible spectroscopic investigation, VCD and NLO studies on Benzophenone thiosemicarbazone using computational calculations
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In order to explore the unbelievable NLO property of prepared Benzophenone thiosemicarbazone (BPTSC), the experimental and theoretical investigation has been made. The theoretical calculations were made using RHF and CAM-B3LYP methods at 6-311++G(d,p) bas
- Moorthy,Jobe Prabakar,Ramalingam,Periandy,Parasuraman
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- Physicochemical and X-ray crystallographic properties of the first rhenium compound of benzophenone thiosemicarbazone (bptsc), fac-[Re(CO)3(κ2-Nim,S-bptsc)Cl]
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fac-[Re(CO)3(κ2-Nim,S-bptsc)Cl] (2), isolated from the reaction between Re(CO)5Cl and benzophenone thiosemicarbazone, bptsc, (1) in refluxing toluene in air, is the first Re compound of 1 and is the second Re(CO
- Bakir, Mohammed,Lawrence, Mark A.W.,Johnson, Junior,McMillen, Colin
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- Zinc complex taking 2-benzoylpyridine thiosemicarbazone as ligand as well as synthesis method and application of zinc complex
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The invention relates to a zinc complex taking 2-benzoylpyridine thiosemicarbazone as a ligand as well as a synthesis method and application of the zinc complex. The method comprises the steps of taking 2-benzoylpyridine and thiosemicarbazone, 4-methyl-3-thiosemicarbazone, 4,4'-dimethyl-3-thiosemicarbazide, 4-phenyl-3-thiosemicarbazide or 4-(2-methyl)phenyl-3-thiosemicarbazide as raw materials tosynthesize a schiff-base ligand; and reacting the ligand with zinc chloride to obtain the zinc complex. In an in-vitro test, the synthesized zinc complex has good inhibitory activity on human hepatomacarcinoma cells (HepG2), the treatment effect is superior to that of a clinical drug cis-platinum, and the zinc complex is suitable for preparing efficient antitumor drugs. In addition, the synthesized zinc complex has a good antibacterial effect on staphylococcus aureus, and is suitable for preparing antibacterial drugs.
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Paragraph 0009; 0023-0029
(2020/12/15)
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- Synthesis, antimicrobial and molecular modeling studies of some benzophenone-based thiazole and 4-thiazolidinone derivatives
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New series of thiazolyl hydrazones were designed and synthesized via the reaction of benzophenone thiosemicarbazone 2 with chloroacetic acid, (un)substituted phenacylbromide and ethyl-2-chloroacetoacetate to yield compounds 3, 5a-d & 6 respectively. Furth
- AboulMagd, Asmaa M.,Eid, Nahed M.,Korany, Ahmed H.,El-Gendy, Ahmed O.,Abdel-Rahman, Hamdy M.
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p. 4355 - 4367
(2020/12/09)
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- Discovery of thiosemicarbazone-containing compounds with potent anti-proliferation activity against drug-resistant K562/A02 cells
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P-glycoprotein (P-gp)-mediated multidrug resistance (MDR) is a major obstacle to successful chemotherapy for leukemia. In this study, a series of thiosemicarbazone-containing compounds (4a-b, 7a-q) were synthesized. Biological evaluation showed that the m
- Gu, Xiaoke,Li, Xin,Guan, Mingyu,Jiang, Chunyu,Song, Qinghua,Sun, Nan,Zou, Yueting,Zhou, Qingqing,Chen, Jing,Qiu, Jingying
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supporting information
(2020/11/02)
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- Antiaflatoxigenic Thiosemicarbazones as Crop-Protective Agents: A Cytotoxic and Genotoxic Study
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Aflatoxins are secondary fungal metabolites that can contaminate feed and food. They are a cause of growing concern worldwide, because they are potent carcinogenic agents. Thiosemicarbazones are molecules that possess interesting antiaflatoxigenic propert
- Bartoli, Jennifer,Montalbano, Serena,Spadola, Giorgio,Rogolino, Dominga,Pelosi, Giorgio,Bisceglie, Franco,Restivo, Francesco Maria,Degola, Francesca,Serra, Olga,Buschini, Annamaria,Feretti, Donatella,Zani, Claudia,Carcelli, Mauro
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p. 10947 - 10953
(2019/10/16)
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- 4-(3-Nitrophenyl)thiazol-2-ylhydrazone derivatives as antioxidants and selective hMAO-B inhibitors: synthesis, biological activity and computational analysis
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A new series of 4-(3-nitrophenyl)thiazol-2-ylhydrazone derivatives were designed, synthesised, and evaluated to assess their inhibitory effect on the human monoamine oxidase (hMAO) A and B isoforms. Different (un)substituted (hetero)aromatic substituents were linked to N1 of the hydrazone in order to establish robust structure–activity relationships. The results of the biological testing demonstrated that the presence of the hydrazothiazole nucleus bearing at C4 a phenyl ring functionalised at the meta position with a nitro group represents an important pharmacophoric feature to obtain selective and reversible human MAO-B inhibition for the treatment of neurodegenerative disorders. In addition, the most potent and selective MAO-B inhibitors were evaluated in silico as potential cholinesterase (AChE/BuChE) inhibitors and in vitro for antioxidant activities. The results obtained from molecular modelling studies provided insight into the multiple interactions and structural requirements for the reported MAO inhibitory properties.
- Secci, Daniela,Carradori, Simone,Petzer, Anél,Guglielmi, Paolo,D’Ascenzio, Melissa,Chimenti, Paola,Bagetta, Donatella,Alcaro, Stefano,Zengin, Gokhan,Petzer, Jacobus P.,Ortuso, Francesco
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p. 597 - 612
(2019/02/14)
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- Inhibitory properties of aromatic thiosemicarbazones on mushroom tyrosinase: Synthesis, kinetic studies, molecular docking and effectiveness in melanogenesis inhibition
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The group of 19 thiosemicarbazones (TSCs) were synthesized and its inhibitory activity toward mushroom tyrosinase and ability to inhibition of melanogenesis in B16 cells were investigated. Moreover, molecular docking of these compounds to the active site of the enzyme was performed. The obtained results allowed to make the structure-activity relationship (SAR) analysis. Kinetic studies revealed that TSCs 1, 2, 11 and 18 have better inhibitory properties than kojic acid, a reference compound, with the best inhibitory constant (Ki) value of 0.38 μM for TSC 2. According to SAR analysis, the smaller and less branched molecules exhibit higher affinity to the enzyme. Melanin production in B16 cells was inhibited by all investigated compounds at micromolar level. Most of compounds studied in this work can be considered as potent inhibitors of tyrosinase and melanogenesis. They may have broad application in food preservatives and cosmetics. Combined results of molecular docking and SAR analysis can be helpful in designing novel tyrosinase inhibitors of desired properties.
- Ha?dys,Goldeman,Jewgiński,Wolińska,Anger,Rossowska,Latajka
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p. 577 - 586
(2018/09/29)
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- Design and synthesis of new benzophenone derivatives with in vivo anti-inflammatory activity through dual inhibition of edema and neutrophil recruitment
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A series of novel benzophenone derivatives containing a thiazole heterocyclic nucleus were designed by molecular hybridization. Molecular docking studies have demonstrated the inhibitory potential of the designed compounds against cyclooxygenase (COX) isoenzymes. These compounds were synthesized, characterized, and evaluated for their anti-inflammatory properties by the croton oil-induced ear edema assay to examine their effect on both prostaglandin (PG) production and neutrophils recruitment. The thiazole derivatives displayed a potent effect in terms of reducing ear edema. The analysis suggested that the presence of 4-phenyl-2-hydrazinothiazole and the absence of C40-OCH3 on the benzophenone derivative structure are strongly related to the inhibition of PG production. In addition, the derivatives 2e, 3a and 3c concomitantly inhibit PG production and neutrophil recruitment, which may be a mechanism of action better than of common NSAIDs due to their inability to inhibit the neutrophil recruitment. Thus, these compounds can be considered as potential lead compounds toward the development of new anti-inflammatory drugs with an innovating mechanism of action.
- Januario, Jaqueline P.,De Souza, Thiago B,Lavorato, Stefania N.,Maiolini, Tatiane C. S.,Domingos, Olívia S,Baldim, Jo?o L,Folquitto, Laís R. S.,Soares, Marisi G.,Chagas-Paula, Daniela A,Dias, Danielle F,Dos Santos, Marcelo H
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- Substituted (E)-2-(2-benzylidenehydrazinyl)-4-methylthiazole-5-carboxylates as dual inhibitors of 15-lipoxygenase & carbonic anhydrase II: synthesis, biochemical evaluation and docking studies
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15-Lipoxygenase (15-LOX) plays a major role in many inflammatory lung diseases including chronic obstructive pulmonary disease (COPD), asthma and chronic bronchitis. Over-expression of 15-LOX is related with some specific carcinomas including pancreatic, gastric and brain tumor. Similarly among different isozymes of carbonic anhydrase (CA), CA II is expressed in pancreatic, gastric carcinomas as well as in brain tumors. Therefore, novel potent inhibitors of both 15-LOX and CA II are required to explore the role of these enzymes further and to enable the drug discovery efforts. For this purpose, a series of benzyledinyl-hydrazinyl substituted thiazole derivatives were designed, synthesized and characterized by FTIR, 1H, & 13C NMR spectroscopy. The derivatives were then evaluated for their potential to inhibit 15-LOX and bovine carbonic anhydrase II (bCA II). Most of these compounds showed excellent inhibitory potential for 15-LOX with an IC50 of 0.12?±?0.002 to 0.69?±?0.5?μM and showed moderate inhibition potency for bCA II with compound 5h (IC50?=?1.26?±?0.24?μM) being the most active. The most potent compound 5a that emerged as a dual inhibitor of both enzymes, exhibiting 24 times greater selectivity for 15-LOX over bCA II. Compound 5a exhibited dual potent inhibitory activity against both 15-LOX and bCA II enzymes having IC50 values of 0.12?±?0.002 and 2.93?±?0.22?μM, respectively. Molecular docking studies of potent as well as dual inhibitors were also carried out to provide an insight into the binding site interactions.
- Saeed, Aamer,Khan, Shafi Ullah,Mahesar, Parvez Ali,Channar, Pervaiz Ali,Shabir, Ghulam,Iqbal, Jamshed
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p. 176 - 181
(2016/12/28)
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- Impact and correlation of p: K a and dn electrons of some selected thiosemicarbazone Schiff base metal Co, Ni, Cu complexes: A study of electrochemical behavior, excitation and optical energies
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The electron-transfer and coordination mechanism of Schiff bases with metal ions, correlation of the electrochemical and optical properties for their potential applications in various fields of chemistry and biochemistry are underexplored. Thus, detailed
- El-Shahawi,Ahmad,Mohammed,Moustafa,Al-Hazmi,El-Asmy
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p. 4853 - 4861
(2017/07/12)
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- Synthesis and pharmacological screening of a large library of 1,3,4-thiadiazolines as innovative therapeutic tools for the treatment of prostate cancer and melanoma
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Antimitotic agents are widely used in cancer chemotherapy but the numerous side effects and the onset of resistance limit their clinical efficacy. Therefore, with the purpose of discovering more selective and efficient anticancer agents to be administered alone or in combination with traditional drugs, we synthesized a large library of 1,3,4-thiadiazoline analogues, maintaining the pharmacophoric structure of an antiproliferative compound known as K858: this is a new inhibitor of kinesin Eg5, able to induce the mitotic arrest in colorectal cancer cells and in xenograft ovarian cancer cells. We screened 103 compounds to assess their antiproliferative activity on PC3 prostate cancer cell line. Two derivatives, compounds 32 (corresponding to K858) and 33, have shown to be the most effective against prostate tumor cells and also towards two melanoma cell lines (SK-MEL-5 and SK-MEL-28) at low micromolar concentrations, confirming the pharmacological activity of this scaffold and revealing the potential role of 1,3,4-thiadiazolines in the management of cancer.
- De Monte, Celeste,Carradori, Simone,Secci, Daniela,D'Ascenzio, Melissa,Guglielmi, Paolo,Mollica, Adriano,Morrone, Stefania,Scarpa, Susanna,Aglianò, Anna Maria,Giantulli, Sabrina,Silvestri, Ida
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p. 245 - 262
(2015/11/03)
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- Structure-activity relationship study of thiosemicarbazones on an African trypanosome: Trypanosoma brucei brucei
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To explore the structure-activity relationships of thiosemicarbazones on African trypanosome: Trypanosoma brucei brucei, a series of thirty-five thiosemicarbazones (1-35) have been synthesized and characterized by their 1H NMR, 13C NMR, and FT-IR spectra. All compounds were tested for trypanocidal activity using the method "Lilit alamar blue". The comparison of trypanocidal power of thiosemicarbazones was performed considering their structures. This study that was done using acetophenone thiosemicarbazone (1) as basic model, showed that: (a) the presence of lipophilic substituents in para position on benzene ring, (b) substitution of benzene ring and (c) substitution of hydrogen of thioamide function by a phenyl, strongly influence trypanocidal activity. The various modifications to basic structure (1) allowed the synthesis of 1-(4-chlorophenyl) ethylidene-4-phenyl- thiosemicarbazide (34). With a trypanocidal activity of 3.97 μM, this compound is the most active of the series.
- Fatondji, Houssou Raymond,Kpoviessi, Salome,Gbaguidi, Fernand,Bero, Joanne,Hannaert, Veronique,Quetin-Leclercq, Joelle,Poupaert, Jacques,Moudachirou, Mansourou,Accrombessi, Georges Coffi
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p. 2151 - 2162
(2013/07/26)
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- Preparation, properties, spectral (IR, electronic, FAB-MS and PXRD) and magnetic characterization of some lanthanide complexes containing tridentate thiosemicarbazone ligand
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Schiff bases, containing 'S' donor atom, such as benzophenonethiosemicarbazone (btscH), salicylidenethiosemicarbazone (stscH) and bis-salicylidenethiosemicarbazone (bstscH) have been reacted with methanolic solution of LnCl3.7H2O (Ln
- Dubey, Raj Kumar,Mishra, Sharad Kumar,Mariya, Ayesha,Mishra, Anil Kumar
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- Synthesis, characterization, and anticancer activity of a series of ketone-N4-substituted thiosemicarbazones and their ruthenium(II) arene complexes
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A series of ketone-N4-substituted thiosemicarbazone (TSC) compounds (L1-L9) and their corresponding [(η6-p-cymene)Ru II(TSC)Cl]+/0 complexes (1-9) were synthesized and characterized by NMR, IR, elemental analysis, and HR-ESI-mass spectrometry. The molecular structures of L4, L9, 1-6, and 9 were determined by single-crystal X-ray diffraction analysis. The compounds were further evaluated for their in vitro antiproliferative activities against the SGC-7901 human gastric cancer, BEL-7404 human liver cancer, and HEK-293T noncancerous cell lines. Furthermore, the interactions of the compounds with DNA were followed by electrophoretic mobility spectrometry studies.
- Su, Wei,Qian, Quanquan,Li, Peiyuan,Lei, Xiaolin,Xiao, Qi,Huang, Shan,Huang, Chusheng,Cui, Jianguo
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p. 12440 - 12449
(2013/11/19)
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- Ketonethiosemicarbazones: Structure-activity relationships for their melanogenesis inhibition
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A series of 2-(1-phenylalkylidene)hydrazinecarbothioamides 2, 2-(1-phenylalkyl)hydrazinecarbothioamides 3, 2-(3,4-dihydronaphthalen-1(2H)- ylidene)hydrazinecarbothioamide (4), and 2-(1-(thiophen-2-yl)ethylidene) hydrazinecarbothioamide (5) were synthesize
- Thanigaimalai, Pillaiyar,Lee, Ki-Cheul,Sharma, Vinay K.,Roh, Eunmiri,Kim, Youngsoo,Jung, Sang-Hun
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supporting information; experimental part
p. 3527 - 3530
(2011/07/31)
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- Synthesis and antimicrobial properties of some new thiazolyl coumarin derivatives
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Two novel series of hydrazinyl thiazolyl coumarin derivatives have been synthesized and fully characterized by IR, 1H NMR, 13C NMR, elemental analysis and mass spectral data. The structures of some compounds were further confirmed by X-ray crystallography. All of these derivatives, 10a-d and 15a-h, were screened in vitro for antimicrobial activity against various bacteria species including Mycobacterium tuberculosis and Candida albicans. The compounds 10c, 10d and 15e exhibited very good activities against all of the tested microbial strains.
- Arshad, Afsheen,Osman, Hasnah,Bagley, Mark C.,Lam, Chan Kit,Mohamad, Suriyati,Zahariluddin, Anis Safirah Mohd
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experimental part
p. 3788 - 3794
(2011/11/06)
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- Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L
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A series of thiosemicarbazone analogs based on the benzophenone, thiophene, pyridine, and fluorene molecular frameworks has been prepared by chemical synthesis and evaluated as small-molecule inhibitors of the cysteine proteases cathepsin L and cathepsin B. The two most potent inhibitors of cathepsin L in this series (IC50 50 = 150.8 nM). Bromine substitution in the thiophene series results in compounds that demonstrate only moderate inhibition of cathepsin L. The two most active analogs in the benzophenone thiosemicarbazone series are highly selective for their inhibition of cathepsin L versus cathepsin B.
- Kumar, G.D. Kishore,Chavarria, Gustavo E.,Charlton-Sevcik, Amanda K.,Yoo, Grace Kim,Song, Jiangli,Strecker, Tracy E.,Siim, Bronwyn G.,Chaplin, David J.,Trawick, Mary Lynn,Pinney, Kevin G.
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supporting information; experimental part
p. 6610 - 6615
(2010/12/20)
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- Spectroscopic, thermal and electrochemical studies on some nickel(II) thiosemicarbazone complexes
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Several complexes of thiosemicarbazone derivatives with Ni(II) have been prepared. Structural investigation of the ligands and their complexes has been made based on elemental analysis, magnetic moment, spectral (UV-Vis, i.r., 1H NMR, ms), and
- El-Shazly,Al-Hazmi,Ghazy,El-Shahawi,El-Asmy
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p. 243 - 252
(2007/10/03)
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- Oxidative cyclization of thiosemicarbazones with meta-chloroperbenzoic acid
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Some steroidal and non-steroidal ketone thiosemicarbazones 7-12, obtained from the corresponding ketones 1-6, on oxidative cyclization with m-CPBA at 0 deg C provide 3β-acetoxy-5α-cholestan-6-spiro-1',2',4'-triazolidine-3'-thione 13, 3β-chloro-5α-cholesta
- Salim, Shamsuzzaman Anwar,Saleem, Kishwar,Khan, Mukhtar A.
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p. 617 - 619
(2007/10/03)
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