2. Academic Validation
  3. Novel quinoxalinyl chalcone hybrid scaffolds as enoyl ACP reductase inhibitors: Synthesis, molecular docking and biological evaluation

Novel quinoxalinyl chalcone hybrid scaffolds as enoyl ACP reductase inhibitors: Synthesis, molecular docking and biological evaluation

  • Bioorg Med Chem Lett. 2017 May 15;27(10):2174-2180. doi: 10.1016/j.bmcl.2017.03.059.
Vidya Desai 1,  Sulaksha Desai 2,  Sonia Naik Gaonkar 2,  Uddesh Palyekar 2,  Shrinivas D Joshi 3,  Sheshagiri K Dixit 3
Affiliations

Affiliations

  • 1 Dnyanprassarak Mandal's College and Research Centre, Assagao, Mapusa-Bardez, Goa 403507, India. Electronic address: desai_vidya@ymail.com.
  • 2 Dnyanprassarak Mandal's College and Research Centre, Assagao, Mapusa-Bardez, Goa 403507, India.
  • 3 Novel Drug Design and Discovery Laboratory, Department of Pharmaceutical Chemistry, S.E.T.'s College of Pharmacy, Sangolli Rayanna Nagar, Dharwad 580002, India.
PMID: 28372908 DOI: 10.1016/j.bmcl.2017.03.059
Abstract

We report herein, first ever synthesis of series of novel differently substituted quinoxalinyl Chalcones using Claisen Schmidt condensation, its molecular docking studies, and potential to be good anti-microbial, anti-tubercular and anti-cancer agents. The antimicrobial studies were carried out against Staphylococcus aureus, Escherichia coli and Candida albicans using disc diffusion procedure. The selected Chalcones were tested for anti-cancer and cytotoxicity activity against MCF-7 Cancer cell line using MTT assay method. All the synthesized compounds were screened for in vitro anti-tubercular screening against MtbH37RV strains by Alamar blue dye method. These results were compared with molecular docking studies carried out on Mycobacterium tuberculosis Enzyme enoyl ACP reductase using Surflex-Dock program that is interfaced with Sybyl-X 2.0. SAR analysis for antimicrobial and antitubercular activity has also been proposed.

Keywords

Anti-cancer; Anti-tubercular; Chalcones; Molecular docking; Quinoxaline.

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