- Design of new bis-triazolyl structure for identification of inhibitory activity on COVID-19 main protease by molecular docking approach
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In the rapidly growing COVID-19 pandemic, designing of new drugs and evaluating their inhibitory action against main targets of corona virus could be an effective strategy to accelerate the drug discovery process and their efficacy towards corona virus disease. Herein, we design new bis-triazolyl probe for an investigation of inhibitory activity towards COVID-19 main protease by Molecular docking approach. The formulated compound has been thoroughly characterized by elemental analysis, NMR (1H and 13C) and complete structure elucidation was achieved via X-ray crystallography. Docking study reveals that newly synthesized compound confers good inhibitory response to COVID-19 main protease as supported by calculated docking score and binding energy. Strong hydrogen bonding and hydrophobic interactions of the newly synthesized compound with several important amino acids of the main protease also helps to explain the potency of the compound to inhibit the main protease. We hope that the present study would help the researcher in the field of Medicinal chemistry and to develop potential drug against the novel corona virus.
- Singh, Gurjaspreet,Pawan,Mohit,Diksha,Suman,Priyanka,Sushma,Saini, Anamika,Kaur, Amarjit
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- Synthesis, Antioxidant, and Antimicrobial Activities of Novel Bis-Aroylbenzofuran Fused 1,2,3-Triazoles Bearing Alkane Spacers
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A series of novel fused bis-aroylbenzodifuran derivatives linked via bis-1,2,3-triazole moiety containing alkane spacers 15, 19a–19d are synthesized in 68–80% yields by the Huisgen cycloaddition (Click) reaction of alkane azides 4–8 with acetylene interme
- Kiran,Sarasija,Rao,Jeyanthi,Rao,Ashok
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p. 2410 - 2419
(2019/01/04)
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- Synthesis of glycidyl-5-(carboxyethyl-1H-tetrazole)polymer and 1,2-bis(5-carboxyethyl-1H-tetrazolyl)ethane as polymeric precursor
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The synthesis of the nitrogen-rich glycidyl-5-(carboxyethyl-1H-tetrazole) polymer (4) by the reaction of glycidyl azide polymer (GAP) and ethyl cyanoformate (2) is described. Moreover, the polymer precursor 1,2-bis(5-carboxyethyl-1H-tetrazolyl)ethane (3), containing two tetrazole moieties, was obtained by reacting compound 2 and 1,2-diazidoethane (1). The substances were characterized by using vibrational spectroscopy (IR), mass spectrometry, as well as multinuclear NMR spectroscopy. Compound 3 was additionally characterized by single-crystal X-ray diffraction measurements. The thermal stability of 3 was determined by differential scanning calorimetry, which reveals that this compound is a highly stable molecule. Synthesis of highly thermally stable energetic nitrogen-rich polymers incorporating tetrazole heterocycles and the corresponding polymer precursor is reported. Complete structural and spectroscopic characterization including IR and multinuclear NMR spectroscopy and mass spectrometry, as well as single-crystal X-ray diffraction analysis of 1,2-bis(5-carboxyethyl-1H-tetrazolyl)ethane, was accomplished. Copyright
- Betzler, Franziska M.,Klapoetke, Thomas M.,Sproll, Stefan M.
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p. 509 - 514
(2013/02/25)
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- Synthesis and evaluation of homo-bivalent GnRHR ligands
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G protein coupled receptors (GPCRs) are important drug targets in pharmaceutical research. Traditionally, most research efforts have been devoted towards the design of small molecule agonists and antagonists. An interesting, yet poorly investigated class of GPCR modulators comprise the bivalent ligands, in which two receptor pharmacophores are incorporated. Here, we set out to develop a general strategy for the synthesis of bivalent compounds that are projected to bind to the human gonadotropin-releasing hormone receptor (GnRHR). Our results on the dimerisation of a known GnRHR antagonist, with as key step the Huisgen 1,3-cycloaddition, and their ability to bind to and antagonize GnRH-induced GnRHR stimulation, are presented here.
- Bonger, Kimberly M.,van den Berg, Richard J.B.H.N.,Heitman, Laura H.,IJzerman, Ad P.,Oosterom, Julia,Timmers, Cornelis M.,Overkleeft, Herman S.,van der Marel, Gijsbert A.
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p. 4841 - 4856
(2008/03/12)
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- Synthesis of polycyclic functionally-substituted triazole- and tetrazole-containing systems
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Cycloaddition of organic mono- and diazides to the triple bond of propargyl esters of mono- and dicarboxylic acids gave rise to polycyclic 1,2,3-triazole-substituted carboxylates. Dipropargyl dicarboxylates with diazides afforded oligomeric products with
- Vereshchagin,Kizhnyaev,Verkhozina,Proidakov,Smirnov
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p. 1156 - 1161
(2007/10/03)
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- Bistriazenes: Multifunctional alkylating agents
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The synthesis of bis(methyltriazeno)alkanes is readily accomplished by reaction of methyllithium with the appropriate diazidoalkane. These compounds possess interesting properties in solution, suggestive of an array of intermolecular hydrogen bonding.
- Blumenstein, Jeffrey J.,Michejda, Christopher J.
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p. 183 - 186
(2007/10/02)
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- UNSATURATED CARBONYL-CONTAINING COMPOUNDS. XXVIII. CYCLOADDITION OF ORGANIC AZIDES TO α-ACETYLENIC KETONES AND ACIDS
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The reaction of α-acetylenic ketones and acids with organic azides leads to the formation of 1-alkyl(aryl)-4-acyl(carboxy)-1,2,3-triazoles or to a mixture of the 1,4- and 1,5-disubstituted isomers.The effect of the structure of the initial compound and of the solvent on the direction of cycloaddition was investigated.
- Vereshchagin, L. I.,Tikhonova, L. G.,Maksikova, A. V.,Serebryakova, E. S.,Proidakov, A. G.,Filippova, T. M.
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p. 641 - 648
(2007/10/02)
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