Multifarious Pharmacotherapeutic Perspectives of Some Natural Bromophenol Compounds: In silico Enzyme Inhibitory Potentials

Abstract

The process of drug discovery, design, and development often designated as 3Ds has played enormous role in modern era. The present research investigation includes in silico exploration of possible pharmacological potentials of bromophenol compounds by the aid of Schrodinger Maestro 9.1 software against six pharmacotherapeutic targets; Dipeptidyl peptidase (anti-diabetic), Angiotensin-1-Converting Enzyme (anti-hypertensive), Cyclin-Dependent Kinase-5 (anti-cancer), Protein kinase C (anti-cancer), Lipoxygenase-5 (anti-inflammatory), and Cycloxygenase-2 (anti-inflammatory). The docking scores, referred to as Glide Scores were reported for each ligand against specific drug targets and from this study, a conclusion was drawn for their future applications. The IFD results were impressive with low Glide Score due to interaction with the amino acid residues of the active site through the formation of strong hydrogen bonding, π-π interactions, and Van der Waals forces via hydroxyl group and oxygen-atom. The validated in silico study furthermore will definitely open innovative avenues of pharmacological research in the rational development of dual inhibitors and multi-targeted ligands. This approach for the endless search of natural products towards new biological activities will open doors for the academicians, modern scientists, and researchers and also provide better perspectives for pharmacotherapeutics.

Keywords: Bromophenol, Molecular docking, In silico, Therapeutic target, Multi-targeted, Inhibitors

Cite this Article

Tomy Muringayil Joseph, Debarshi Kar Mahapatra. Multifarious Pharmacother
apeutic Perspectives of Some Natural Bromophenol Compounds: In silico Enzyme Inhibitory Potentials. Research & Reviews: A Journal of Drug Design & Discovery. 2019; 6(2): 24–29p.