Open AccessExploration of Indolo-imidazo[1,2-a]pyridine Compounds as Anti-Tubercular Agents through Docking, ADMET and Drug Likeliness Studies
Author(s) -
Surabhi Jain,
Jyoti Dhrubo
Publication year - 2021
Publication title -
letters in applied nanobioscience
Language(s) - English
Resource type - Journals
ISSN - 2284-6808
DOI - 10.33263/lianbs112.33503361
Subject(s) - lipinski's rule of five , docking (animal) , chemistry , computational biology , combinatorial chemistry , mycobacterium tuberculosis , drug , context (archaeology) , stereochemistry , biochemistry , pharmacology , tuberculosis , biology , in silico , medicine , paleontology , nursing , pathology , gene
The resistance of Mycobacterium to anti-Mycobacterial drugs is a key stumbling block in its treatment. Exploration of diverse targets, the hunt for new chemical scaffolds, and different approaches to tuberculosis cure are all needed in this context. For growth and survival, Mycobacteria require oxidative phosphorylation. In Electron Transport System, the cytochrome B (QcrB) component is important for the bc1 complex's function, which is a clinical target for Q203 (Telacebec). This work includes the docking, ADMET, and Drug Likeliness profiles of indolo-imidazo[1,2-a]pyridine compounds. The structural resemblance of molecules to Q203 is the rationale behind the investigation. The chosen molecules follow the Lipinski rule of five. Out of 15 molecules, A12 and A13 can be investigated as potential therapeutic candidates after a thorough analysis of molecular docking, binding affinity, and ADMET profile. We suggest that these candidates are more likely to be used as anti-Mycobacterial agents or as beginning leads for creating novel and potent tubercular agents based on potential findings.