Multiple 3D- and 2D-quantitative structure–activity relationship models (QSAR), theoretical study and molecular modeling to identify structural requirements of imidazopyridine analogues as anti-infective agents against tuberculosis

Tuberculosis (TB), an infectious remains a global health burden till date. Considering immense importance of theoretical tools in computer aided-drug designing, the current study focuses on common pharmacophore and QSAR analysis of 38 imidazopyridine analogues as anti-TB agents. Our developed atom-b...

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Veröffentlicht in:	Structural chemistry 2022-06, Vol.33 (3), p.679-694
Hauptverfasser:	Mali, Suraj N., Pandey, Anima, Thorat, Bapu R., Lai, Chin-Hung
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiinfectives and antibacterials Chemistry Chemistry and Materials Science Computer Applications in Chemistry Correlation coefficients Original Research Pharmacology Physical Chemistry Public health Robustness (mathematics) Softness Statistical analysis Theoretical and Computational Chemistry Tuberculosis
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