Molecular Docking Study of Biologically Active Ligand and the Insights of Synthesis, Characterization and In Vitro Studies of Derivatives of β-tubulin Polymerization Inhibitor as Antigout Agent

Vaishali H  Gaikwad; Kailash R  Borude; B C  Khade  and Vaibhav B  Sabale

doi:10.17485/ijst/2020/v13i07/149615

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Molecular Docking Study of Biologically Active Ligand and the Insights of Synthesis, Characterization and In Vitro Studies of Derivatives of β-tubulin Polymerization Inhibitor as Antigout Agent

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Indian Journal of Science and Technology

DOI: 10.17485/ijst/2020/v13i07/149615

Year: 2020, Volume: 13, Issue: 7, Pages: 756 – 766

Original Article

Molecular Docking Study of Biologically Active Ligand and the Insights of Synthesis, Characterization and In Vitro Studies of Derivatives of β-tubulin Polymerization Inhibitor as Antigout Agent

Vaishali H. Gaikwad^1,*, Kailash R. Borude², B.C. Khade² and Vaibhav B. Sabale³

¹Department of School of Chemistry, MITWPU, Pune 411038, Maharashtra, India 2Department of Chemistry, K.K.M. College, Manwat, Parbhani 431505, Maharashtra, India
²Department of Chemistry, Dnyanopasak Sciences College, Parbhani 431401, Maharashtra, India
³Department of Biotechnology, School of Life Sciences, Kavayatri Bahinabai Chaudhari North Maharashtra University, Jalgoan 425001, Maharashtra, India

^*Author for correspondence:
Vaishali H. Gaikwad
Department of School of Chemistry, MITWPU, Pune 411038, Maharashtra, India
E-mail ID: vaishali.gaikwad@mitwpu.edu.in

This work is licensed under a Creative Commons Attribution 4.0 International License.

Abstract

Background/objective: The aim of the study is to synthesize derivatives of colchicine, which is an anti-gout drug, and to enhance the antimicrobial activity of it. As it is observed in case study of drug– drug interaction, i.e. Colchicine and clarithromycin, which is known as antimicrobial drug has given fatal results, in consequence to that we have tried to enhance the antimicrobial activity of the drug itself, as there is always a need of antimicrobial drugs in the treatment of gout. In addition, to study the binding of protein and colchicine through molecular docking.

Methods/analysis: In this work, the detailed molecular docking study of colchicine has been done and complexes of colchicine with Co (II), Ti(II), Ni (II) Fe (II) Zn(II) Cu(II) are synthesized and investigated by using IR, and antimicrobial antifungal screening.

Findings/application: Docking shows the exact binding site of the ligand which is beta-tubulin inhibitor. It is also observed that first transition series metal forms stable complexes with this ligand specially and shows enhanced antimicrobial activity.

Keywords: Colchicine Complexes, Molecular Docking, Gout, Beta Tubulin Inhibitor Antimicrobial Activity, IR.