Antimicrobial Activity Studies of 3-Substituted Indole-2-one and -thione derivatives and Molecular Docking and ADME Evaluations

Year 2023, Volume: 6 Issue: 1, 13 - 26, 01.07.2023

Derya Doğanay , Şevval Maral Özcan Aykol , Ahmet Mesut Şentürk , Süreyya Ölgen

https://doi.org/10.54994/emujpharmsci.1202754

Abstract

Increasing antibiotic resistance is an important problem for public health therefore new antimicrobial compounds are needed. In this study, the antimicrobial effects of 3-Substituted Indole-2-one and -thione derivatives were investigated. Antimicrobial effects of previously synthesized 18 different 3-substituted indole-2-one and 2-thione derivatives against 5 different microorganisms were investigated and the structure-activity relationships and drug-like properties of compounds were analyzed by molecular docking and in silico prediction studies. The in vitro antimicrobial activities of compounds were tested by microdilution method. The most active compounds were found as 2, 3, 4, 5, 6, 7, 8 at 125 μg/mL of MIC value. Compounds 2 and 3 were found to be active against S. enterica and compounds 4, 5, 6, 7, and 8 were found to be active against methicillin-resistant S. aureus. According to molecular docking studies, all compounds presented weaker binding properties than ciprofloxacin, ampicillin and gentamicin. The predicted values for molecular weight, log P, PSA, crossing the BBB, GI absorption properties and type of CYPP450 inhibition data of compounds were found promising for drug-like properties. 3-Substituted Indole-2-one and -thione derivatives can proivide an important contribution to develop alternative antimicrobial agents.

Keywords

Antimicrobial activity, Minimum inhibitory concentration, Molecular docking, Structure-activity relationship, 3-Substituted-indole-2-on and 2-thione

Supporting Institution

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