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Vol. 34 No. 4 (2022): Vol 34 Issue 4, 2022

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Flavonoids from Alpinia officinarum as Potential Anti-Tubercular Agents Using Molecular Docking Studies

https://doi.org/10.14233/ajchem.2022.23620
Varsha S. Honmore
Post Graduate and Research Center, Department of Chemistry, MES Abasaheb Garware College, Pune-411004, India
Arun D. Natu
Post Graduate and Research Center, Department of Chemistry, MES Abasaheb Garware College, Pune-411004, India
Vijay M. Khedkar
Department of Pharmaceutical Chemistry, School of Pharmacy, Vishwakarma University, Pune-411048, India
Dhiman Sarkar
Combichem-Bioresource Center, Organic Chemistry Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pashan, Pune-411008, India
Supada R. Rojatkar
R&D Centre in Pharmaceutical Sciences and Applied Chemistry, Poona College of Pharmacy Campus, Bharati Vidyapeeth Deemed University, Erandwane, Pune-411038, India

Corresponding Author(s) : Varsha S. Honmore

vshonmore@yahoo.com; vhonmore@gmail.com

Asian Journal of Chemistry, Vol. 34 No. 4 (2022): Vol 34 Issue 4, 2022

Abstract

Bioguided isolation yielded three flavonoids galangin (1), kaempferide (2) and kaempferol (3) from methanol extract of Alpinia officinarum Hance. Galangin exhibited highest antitubercular activity, with MIC of < 4.0 μg/mL against M. bovis BCG (in vitro) and M. tuberculosis (ex vivo), than kaempferide. In vitro and ex vivo macrophage infection model assay revealed the inhibition of both active and dormant stage for M. tuberculosis H37Ra and M. bovis BCG on exposure to galangin. Molecular docking studies into the active site of DprE1 enzyme helped to understand the ligand-protein interactions and establish a structural basis for inhibition of M. tuberculosis. These flavonoids indicated their non-specificity towards M. tuberculosis by testing against Gram-positive and Gram-negative bacteria and also least cytotoxic up to 100 μg/mL on three human cancer cell lines THP-1, PANC-1 and A549, respectively. So these flavonoids are inhibitors against M. tuberculosis that can be explored further as potential antitubercular drugs.

Keywords

Alpinia officinarum Zingebareace Antimycobacterial agent Galangin Kaempferide Molecular docking
S. Honmore, V., D. Natu, A., M. Khedkar, V., Sarkar, D., & R. Rojatkar, S. (2022). Flavonoids from Alpinia officinarum as Potential Anti-Tubercular Agents Using Molecular Docking Studies. Asian Journal of Chemistry, 34(4), 937–944. https://doi.org/10.14233/ajchem.2022.23620
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