In-silico Molecular Docking and ADME/Pharmacokinetic Prediction Studies of Some Novel Carboxamide Derivatives as Anti-tubercular Agents
نویسندگان
چکیده
منابع مشابه
Molecular docking studies on xanthohumol derivatives as novel anticancer agents
A set of Xanthohumol derivatives were selected and molecular docking studies of these compounds on thioredoxin reductase were conducted. Based on new structural patterns using in silico-screening study, new potent lead compounds were designed. The results due to validated docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, Val44 and Gly132 are the main a...
متن کاملDesign, Molecular Docking Studies and Toxicity Prediction of Some Novel 1, 2, 3-Triazole Derivatives Containing Piperazine Moiety as Antifungal Agents and CYP-51 Inhibitors
Background & Objective: In this study, a number of new triazole derivatives, containing a 1, 2, 3-triazole ring attached to the piperazine moiety as antifungal agents and lanosterol 14 alpha-demethylase, (CYP51) inhibitors were docking studies conducted. In the following, the toxicity risks of the designed compounds, were predicted by existing software. Materials & methods: Initially, the chemi...
متن کاملSynthesis, Docking and Evaluation of Novel Pyrazole Carboxamide Derivatives as Multifunctional Anti-Alzheimer’s Agents
Alzheimer’s disease (AD) is a major public health problem. The dual inhibitors of monoamine oxidase-B (MAO-B) and acetyl cholinesterase (AchE) are reported as effective in treatment of AD. The present research work was planned to design, synthesize and evaluate pyrazole carboxamide derivatives as multifunctional agents for treatment of AD. A series of substituted pyrazole derivatives were synth...
متن کاملSynthesis, Biological Evaluation and Docking Analysis of Some Novel Quinazolin Derivatives as Antitumor Agents
Different acid chlorides (2a-d) reacted with anthranilic acid to produce 2-substituted-3, 1-benzoxazin-4-one (3a-d) which was used as starting material to synthesize some condensed and non-condensed heterocyclic compounds by reaction with nitrogen nucleophiles e.g., hydrazine hydrate, and formamide. Some of the newly synthesized analogues were chosen to evaluate their cytotoxic activity against...
متن کاملSynthesis, Biological Evaluation and Docking Analysis of Some Novel Quinazolin Derivatives as Antitumor Agents
Different acid chlorides (2a-d) reacted with anthranilic acid to produce 2-substituted-3, 1-benzoxazin-4-one (3a-d) which was used as starting material to synthesize some condensed and non-condensed heterocyclic compounds by reaction with nitrogen nucleophiles e.g., hydrazine hydrate, and formamide. Some of the newly synthesized analogues were chosen to evaluate their cytotoxic activity against...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chemistry Africa
سال: 2020
ISSN: 2522-5758,2522-5766
DOI: 10.1007/s42250-020-00162-3