LEAD IDENTIFICATION AND OPTIMIZATION OF PLANT INSULIN-BASED ANTIDIABETES DRUGS THROUGH MOLECULAR DOCKING ANALYSES
Journal Title: International Journal of Pharmacy and Pharmaceutical Sciences - Year 2015, Vol 7, Issue 3
Abstract
Objective: Diabetes mellitus (DM) is a multifactorial disorder of the pancreas and the third leading cause of deaths in humans. Presence of plant proteins whose genomic sequences are similar to those of animal insulin has been demonstrated. We wished to discover anti-DM drugs having high inhibitory activity based on plant proteins.Methods: Â Computer-aided molecular docking methods were applied using Auto Dock Vina software.Results: Â We selected a plant protein with Uni Prot identification Q7M217 insulin in Canavalia ensiformis as the target protein for DM. We identified an active lead compound among eight candidate compounds on the basis of significant binding interactions with the target protein and half-maximal inhibitory concentration (IC50) values. We designed four analogs of the lead compound. Molecular docking analyses showed that the four analogs could be used as anti-DM agents with suitable drug-like properties as compared with a standard compound for the treatment of DM (aleglitazar). These analogs can also be used for future studies.Conclusion: We identified an anti-DM compound, a biphenyl derivative, based on plant insulin. We designed its analogs using a functional-group inter-conversion approach. Our computer-aided study provided information on binding energies and binding interactions of the analogs to predict their anti-DM activity.Â
Authors and Affiliations
Shabana Bibi, Saima Kalsoom, Hamid Rashid, Katsumi Sakata
Keywords
Related Articles
- EP ID EP578985
- DOI -
- Views 71
- Downloads 0
ETORICOXIB-LOADED SOLID LIPID NANOPARTICLE DOSAGE FORM: FORMULATION, OPTIMIZATION, CHARACTERIZATION, STABILITY STUDYAND IN-VITRO IN-VIVO EVALUATION
Objective: The aim of present research work is to increase the bioavailability of poorly water soluble drug etoricoxib by developing solid lipid nanoparticle (SLN). Due to their unique size dependent properties, lipid na...
PREVENTION OF PEPTIC ULCERS BY CURCUMIN IN CHEMICALLY INDUCED OSTEOARTHRITIS
Objective: The present study was carried out to investigate the role of curcumin in osteoarthritis when it is used as an adjuvant to diclofenac sodium.Methods: Osteoarthritis (OA) was induced by administering nalidixic a...
IDENTIFICATION OF DIFFERENT SAMPLES OF GUGGULU THROUGH SENSORY EVALUATION TECHNIQUE
Objective: Present study is aimed to evaluate an efficacy of the two-Alternative Forced Choice (2-AFC) sensory methods in detecting differences between Fresh and old samples of Guggulu.Methods: Both samples of Guggulu we...
PROTECTIVE EFFECT OF SAPONIN OF MOMORDICA CYMBALARIA FENZL ON HIGH-GLUCOSE INDUCED NEUROPATHY IN NB-41A3 MOUSE NEUROBLASTOMA CELLS
Objective: The natural product Momordica cymbalaria Fenzl has been in use considerably because of its antidiabetic activity. In this work, we have investigated the protective action of one of its phytoconstituent, a sapo...
SUB-ACUTE ORAL TOXICITY PROFILING OF THE METHANOLIC LEAF EXTRACT OF CLINACANTHUS NUTANS IN MALE AND FEMALE ICR MICE
Objective: This study aims to investigate the sub-acute oral toxicity of a methanolic leaf extract of Clinacanthus nutans (MECN) in male and female mice. Methods: The study used three groups of male and female mice, the...