IN SILICO DOCKING APPROACH FOR ANTIATHEROSCLEROTIC ACTIVITY OF PHYTOCONSTITUENTS OF CORCHORUS AESTUANS AND ADMET PREDICTION
Journal Title: Asian Journal of Pharamceutical and Clinical Research - Year 2015, Vol 8, Issue 2
Abstract
 Objective: Atherosclerosis is a persistent inflammatory condition within the arterial wall characterized by alterations in lipid metabolism. LiverX alpha receptor is highly expressed in liver could regulate the cholesterol metabolism and suppress the inflammatory genes, so that its activationprevents atherosclerosis. The Corchorus aestuans possess anti-atherosclerotic property along with its anti-hyperglycemic activity. The objective of thepresent study is to investigate the anti-atherosclerotic activity of the C. aestuans leaves against Liver X alpha receptor by using GOLD study.Methods: 3-Dimensional structure of Liver X alpha receptor (Protein Date Bank ID - 3IPQ) was retrieved using Protein Data Bank. Phytochemicalmolecules were retrieved from the pubchem database and the 2D chemical structures were generated from SMILES notation (Simplified MolecularInput Line Entry Specification) by using the Chemsketch Software. Screenings of different docked complex were performed by GOLD study. Absorption,distribution, metabolism, excretion and toxicity properties for all molecules is predicted by using ADMET structure-activity relationship database.Results: Among the 14 phytochemicals, E-7-Tetradecenol was found to be the top compound with highest Gold score of 26.99.Conclusion: Our study suggests that phytochemicals from C. aestuans leaves may act as better leads and in turn prevent atherosclerosis.Keywords: Atherosclerosis, Corchorus aestuans, Liver X alpha receptor, GOLD, Absorption, Distribution, Metabolism, Excretion and Toxicity.
Authors and Affiliations
Dhanalakshmi Ramasamy
Keywords
Related Articles
- EP ID EP605700
- DOI -
- Views 72
- Downloads 0
PROTECTIVE EFFECT OF SYNTHETIC ANTIOXIDANTS AND ETHANOLIC EXTRACT OF BACOPA MONNIERI AGAINST LEAD TOXICITY INDUCED METABOLIC DYSFUNCTIONS IN MICE BRAIN AND LIVER HOMOGENATES: AN IN VITRO APPROACH
Objective: The main objective of the present study was to investigate the ameliorative potential of synthetic antioxidants mixture comprising N-acetyl cysteine, ascorbic acid, tocopheryl acetate, and thiamine as micronut...
HIGH SENSITIVE C-REACTIVE PROTEIN AND ITS RELATIONSHIP WITH OTHER CARDIOVASCULAR RISK VARIABLES IN OBESE, OVERWEIGHT AND HEALTHY INDIVIDUALS
Objective: More than 50% of the world’s population is considered overweight and being overweight is associated with several comorbidities such as Type 2 diabetes mellitus, hypertension, cardiovascular diseases, dyslipi...
AWARENESS AND PRACTICE REGARDING CERVICAL CANCER PREVENTION AMONG FEMALE COLLEGE STUDENTS OF MANGALORE CITY, INDIA
Objective:To determine the awareness and practice of female college students in Mangalore in relation to cervical cancer. Methods:A cross-sectional study was carried out among 270 female students from various pre-univers...
EVALUATION OF APPROPRIATE USE OF ANTIFUNGAL THERAPY IN A TERTIARY CARE HOSPITAL
ABSTRACTObjective: Appropriate use of antifungal therapy has becoming a worrying issue since misuse of antifungal may contribute to the emergence andglobal increase in antifungal resistance. Use of a more standardized ap...
FORMULATION AND EVALUATION OF MICROEMULSION GEL FOR TRANSDERMAL DELIVERY OF TRAMADOL
Objective: The present work was carried out to design microemulsion gel system for transdermal delivery of the drug to minimize the side effects and to reduce the frequency of administration and for prolonging the durati...