in silico Design, ADME Prediction, Molecular Docking, Synthesis of Novel Triazoles, Indazoles & Aminopyridines and in vitro Evaluation of Antitubercular Activity
نویسندگان
چکیده
منابع مشابه
Molecular docking and in silico ADME prediction of Ticagrelor as an antagonist of the P2Y12 receptor
The purpose of the present research work is prediction of electronic and physico-chemical properties of the novel medicinal compound Ticagrelor (AZD6140) using density functional theory (DFT) method. Firstly, its molecular structure was optimized at B3LYP/6-311++G(d,p) basis set of theory at room temperature. The global reactivity indices used to study the reactivity and stability of the title ...
متن کاملcomparison of catalytic activity of heteropoly compounds in the synthesis of bis(indolyl)alkanes.
heteropoly acids (hpa) and their salts have advantages as catalysts which make them both economically and environmentally attractive, strong br?nsted acidity, exhibiting fast reversible multi-electron redox transformations under rather mild conditions, very high solubility in polar solvents, fairly high thermal stability in the solid states, and efficient oxidizing ability, so that they are imp...
15 صفحه اولIn-silico Design, Synthesis and in Vitro Antitubercular Activity of Novel 1, 2, 4 - Triazole Derivatives
Objective: To design, synthesize and in vitro anti tubercular evaluation of some new 1,2,4–triazole derivatives. Methods: Novel 1,2,4–triazole derivatives were designed by using various softwares like ACD Lab Chemsketch, Molinspiration, Prediction of activity spectra for substances(PASS) and Schrodinger Glide XP (Grid based ligand docking with energetics). The designed molecules having required...
متن کاملDesign, Synthesis and Evaluation of Antitubercular Activity of Novel Dihydropyridine Containing Imidazolyl Substituent
Recent studies have indicated that 1, 4-dihydropyridine-3, 5-dicarboxamidederivativesshow significant anti-tubercular activity. In this research, new derivatives of 1, 4-dihydropyridine were designed and synthesized using Hantzsch condensation in which dicyclohexyl and different dicyclohexylcarbamoylwere substituted at C-3 and C-5 positions of the DHP ring.In addition, 4 (5)-chloro-2-methyl-5 (...
متن کاملDesign, Synthesis and Evaluation of Antitubercular Activity of Novel Dihydropyridine Containing Imidazolyl Substituent
Recent studies have indicated that 1, 4-dihydropyridine-3, 5-dicarboxamidederivativesshow significant anti-tubercular activity. In this research, new derivatives of 1, 4-dihydropyridine were designed and synthesized using Hantzsch condensation in which dicyclohexyl and different dicyclohexylcarbamoylwere substituted at C-3 and C-5 positions of the DHP ring.In addition, 4 (5)-chloro-2-methyl-5 (...
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ژورنال
عنوان ژورنال: Asian Journal of Chemistry
سال: 2020
ISSN: 0975-427X,0970-7077
DOI: 10.14233/ajchem.2020.22790