In Silico Studies of Indole Derivatives as Antibacterial Agents.

ABSTRACT:

Objectives

Molecular docking and QSAR studies of indole derivatives as antibacterial agents.

Methods

In this study, we used a multiple linear regressions (MLR) approach to construct a 2D quantitative structure activity relationship of 14 reported indole derivatives. It was performed on the reported antibacterial activity data of 14 compounds based on theoretical chemical descriptors to construct statistical models that link structural properties of indole derivatives to antibacterial activity. We have also performed molecular docking studies of same compounds by using Maestro module of Schrodinger. A set the molecular descriptors like hydrophobic, geometric, electronic and topological characters were calculated to represent the structural features of compounds. The conventio

SUBMITTER: Shah M 

PROVIDER: S-EPMC10315882 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature