Jump to main content
Jump to site search


Synthesis, structural, biological and in silico studies of some new 5-arylidene-4-thiazolidinone derivatives as possible anticancer, antimicrobial and antitubercular agents

Abstract

A new series of halogenated 4-thiazolidinone derivatives bearing sulfonamide moiety has been synthesized and characterized by FT-IR, 1H NMR, 13C NMR, HRMS and single crystal X-ray techniques. The newly synthesized target compounds were screened for their in vitro cytotoxicity on HepG2 and MDA-MB-231 cell lines, antimicrobial and antitubercular activity. The compounds have shown promising anticancer activity towards MDA-MB-231 cell line and trichloro derivatives with p-chloro substitution (6i) and p-hydroxy substitution (7e) exhibited excellent anticancer activity. Compounds 6b and 7c observed as moderate antimicrobial agents. The highest potent seven anticancer agents were further studied their antitubercular activity against M. tuberculosis strain and found that the compound 7e showed significant antitubercular activity. The potent candidates were also tested for hemolysis activity against human RBC cells and found to be non-toxic. The mode of action for the observed anticancer activity was further supported by molecular docking studies of potent compounds against the enzyme Aurora Kinase (PDB ID: 4ZTR). Molecular dynamics (MD) simulations were performed further to study the stability of the ligand-protein complex.

Back to tab navigation

Supplementary files

Publication details

The article was received on 23 Jul 2018, accepted on 16 Nov 2018 and first published on 04 Dec 2018


Article type: Paper
DOI: 10.1039/C8NJ03671C
Citation: New J. Chem., 2018, Accepted Manuscript
  •   Request permissions

    Synthesis, structural, biological and in silico studies of some new 5-arylidene-4-thiazolidinone derivatives as possible anticancer, antimicrobial and antitubercular agents

    A. Sunil Kumar, J. Damodara, B. Basavapattan, K. Ananda, S. Rajith, M. K. Shankar, B. C. Revanasiddappa, V. Kumar, R. Punchapady-Devasya and D. Naral, New J. Chem., 2018, Accepted Manuscript , DOI: 10.1039/C8NJ03671C

Search articles by author

Spotlight

Advertisements