Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies

Title:Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies

Volume: 18 Issue: 1

Author(s): Poornima Acharya, M.M.V. Ramana*, Manish Upadhyay and Ganesh Pavale

Affiliation:

• Department of Chemistry, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai-400 098,India

Keywords: Biscoumarin, Mycobacterium tuberculosis, microplate alamar blue assay method, InhA, neutrophil function test, ADME.

Abstract:

Background: Biscoumarin scaffolds are known for their promising pharmacological properties. These compounds have not been studied for their activity against tuberculosis strains.

Objective: Unveil the antitubercular properties of biscoumarin scaffolds.

Methods: Biscoumarin derivatives (3a-3l) were synthesized using lemon juice as a catalyst and were investigated for their in-vitro anti-tubercular activity against the H₃₇R_v strain of Mycobacterium tuberculosis using Microplate Alamar Blue Assay Method (MABA). Their binding interaction was investigated by Molecular Docking Studies using InhA with PDB-ID: 2NSD as target receptors in the H₃₇R_v strain of Mycobacterium tuberculosis. These derivatives (3a-3l) were subjected to the neutrophil function test.

Results: The results revealed that compounds 3b, 3c, 3d, 3f, 3i, 3j showed excellent activity with MIC 1.6μg/mL. Molecular docking interactions for their antitubercular activity proved that the derivatives (3a-3l) can easily bind into the pockets of the enzyme. Neutrophil function test signified that they exhibit moderate neutrophil functions assuring that they do not harm the functioning of Neutrophils.

Conclusion: These studies have awakened the property of Biscoumarins as promising antitubercular scaffolds.

Cite this article as:

Acharya Poornima , Ramana M.M.V.*, Upadhyay Manish and Pavale Ganesh , Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies, Letters in Drug Design & Discovery 2021; 18 (1) . https://dx.doi.org/10.2174/1570180817999200724173656