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IJPER · Lens · Synthesis, Evaluation and Molecular Docking Study of Some New 2-[(2,5-Disubstitutedanilino) Phenyl] Acetic Acid Derivatives

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Article · Volume 50, Issue 3 · pp. 465–471

Synthesis, Evaluation and Molecular Docking Study of Some New 2-[(2,5-Disubstitutedanilino) Phenyl] Acetic Acid Derivatives

Shashidhar Kerur1, Kallanagouda Alagawadi2, Hailiang Zhu3, Fakkirappa Manvi2

  1. 1Deparment of Pharmaceutical Chemistry, Karnataka Lingayath Education University College of Pharmacy, Hubli-580031, INDIA.
  2. 2Deparment of Pharmaceutical Chemistry, Karnataka Lingayath Education University College of Pharmacy, Belgaum-580010, INDIA.
  3. 3State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing-210093, CHINA.

Abstract

In the present study synthesis and antimicrobial activity of some new 2-[(2,5-disubstitutedanilino)phenyl]acetic acid derivatives 5a-f are described. The structures of the newly synthesized compounds were confirmed by FTIR, 1H NMR, 13C NMR, mass and elemental analysis. All compounds were screened for antitubercular and antimicrobial activity. Molecular modeling studies were performed to dock compounds into the ecKAS III binding site, which suggested probable inhibition mechanism. The results revealed that most of the compounds showed high to moderate biological activity against tested microorganisms.

Keywords: 1; 3; 4-Thiadiazole; Phenacyl bromide; Molecular Docking; Antitubercular; activity; Antimicrobial activity; Mycobacterium tuberculosis

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