Novel Benzimidazol‐2‐Thione Derivatives: Synthesis, In Vitro Anticancer, Antimicrobial Activities, And In Silico Molecular Docking Study

Author:

Duy Tuy Ha Ngo1,Phuong Truong1,Van Cuong Nguyen2,Nguyen Minh An Tran2ORCID

Affiliation:

1. Ho Chi Minh City University of Medicine and Pharmacy 217 Hong Bang, Ward 11, District 5 Ho Chi Minh City Vietnam

2. Faculty of Chemical Engineering Industrial University of Ho Chi Minh City 12 Nguyen Van Bao Road, Ward 4, Go Vap District Ho Chi Minh city Vietnam

Abstract

AbstractA series of derivative benzimidazol‐2‐thione compounds (2 a–2 l) had been synthesized, screened for their antimicrobial activities by dish diffusion and dilution assays, anti‐tumor against breast, rhabdomyosarcoma, and liver human cancer cell lines via MTT assay, followed by carrying out in silico docking model. Entries 2 i–2 j, 2 l, and 2 g are novel compounds, among them, compound 2i manifested the highest antibacterial activity against both Methicillin‐resistant Staphylococcus aureus and Streptococcus faecalis; meanwhile, entries 2 i–2 j and 2 l showed significant antifungal activity toward Trichophyton mentagrophytes, Trichophyton rubrum, and Microsporum gypseum. Through in vitro approach, entry 2 i is the best derivative against human rhabdomyosarcoma cell line. Additionally, via in silico approach, entry 2 i reasonably explained drug delivery ligand against bacterium Streptococcus faecalis, moreover, entries 2 i–2 j and 2 l showed excellent antifungal activity, explained via enzyme inhibition mechanism against 2VF5. In silico, 2 i was proved to inhibit against sarcoma cancer cell line.

Publisher

Wiley

Subject

General Chemistry

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