Article Details
Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies
Author(s):
Poornima Acharya, M.M.V. Ramana*, Manish Upadhyay and Ganesh Pavale Pages 57 - 66 ( 10 )
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 H37Rv 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 H37Rv 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.
Keywords:
Biscoumarin, Mycobacterium tuberculosis, microplate alamar blue assay method, InhA, neutrophil function test, ADME.
Affiliation:
Department of Chemistry, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai-400 098, Department of Chemistry, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai-400 098, Department of Bioinformatic, Guru Nanak Khalsa College, University of Mumbai, Mumbai, Department of Chemistry, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai-400 098
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