Babar Ali
Buraydah Colleges
Kingdom of Saudi Arabia
Title: Insilico analysis for predicting fatty acids of black cumin oil as inhibitors of P-glycoprotein
Biography
Biography: Babar Ali
Abstract
Black cumin oil is obtained from the seeds of Nigella Sativa L. which belongs to family Ranunculaceae. Seeds oil has been reported to possess antitumour, antioxidant, antibacterial, anti-inflammatory, poglycaemic, central nervous system depressant, antioxidant and immune stimulatory activities. These bioactivities have been attributed to the fixed oil, volatile oil, or their components. Seed oil consisted of 15 saturated fatty acids (17%) and 17 unsaturated fatty acids (82.9%). Long chain fatty acids and medium chain fatty acids have been reported to increase oral bioavailability of peptides, antibiotics and other important therapeutic agents. In earlier study permeation enhancement and bioenhancement of drugs has been done with black cumin oil.
Objectives: In order to recognize the mechanism of binding of fatty acids to P-gp, Linoleic acid, oleic acid, margaric acid, cis-11, 14-eicosadienoic acid and stearic acid were selected for insilico studies which were carried out using AutoDock 4.2, based on the Lamarckian genetic algorithm principle. Materials and methods: Template search with Blast and HHBlits has been performed against the SWISS-MODEL template library (SMTL). The target sequence was searched with BLAST against the primary amino acid sequence of P glycoprotein from Rattusnorvegicus.
Results: The amount of energy needed by Linoleic acid, Oliec acid, Eicosadeinoic acid, Margaric acid and Stearic acid to bind with P-gp were found to be -10.60,-10.48, -9.95, -11.92 and -10.37 kcal/mol respectively. The obtained data supports that all the selected fatty acids have contributed to inhibit P-gp activity thereby enhance the bioavailability of drugs.
Conclusion:This study plays a significantrole in finding hotspots in P-gp and mayoffer further scope of designing potent and specific inhibitors of P-gp.