| RESEARCH ARTICLE
|Year : 2018 | Volume
| Issue : 5 | Page : 242-250
In silico approach to study the metabolism and biological activities of oligomeric proanthocyanidin complexes
Sankar Jamuna, Ashokkumar Rathinavel, Sakeena Sadullah Mohammed Sadullah, Sivasitambaram Niranjali Devaraj
Department of Biochemistry, University of Madras, Chennai, Tamil Nadu, India
OBJECTIVES: Over the past three decades, numerous studies have focused on the biological activities of oligomeric proanthocyanidins (OPCs) in the prevention of many diseases such as neurodegeneration, atherosclerosis, tumorigenesis, and microbial infections. OPC has redox-active metabolites which could modulate the intracellular redox equilibrium to maintain the antioxidant homeostasis. This redox-modulating efficiency of OPC could provide new insights into therapeutic approaches that could reduce the burden of cardiovascular diseases. The main objective of this study was to explore the biological and metabolic activities of OPC using in silico approaches.
METHODS: To validate the above objective, chemoinformatic tools were used to predict the metabolism of OPC after ingestion, based on both the ligand and structure of the constituent compounds.
RESULTS: OPC showed possible sites for Phase I metabolism by cytochrome P450, and the metabolites obtained thereafter may be responsible for its biological activities. Absorption, distribution, metabolism, elimination, and toxicity properties showed efficient absorption, distribution, and metabolism of OPC, without toxicity.
CONCLUSION: Thus, from the results obtained, OPC could be strongly recommended as a cardioprotective drug.
Dr. Sivasitambaram Niranjali Devaraj
Department of Biochemistry, University of Madras, Guindy Campus, Chennai - 600 025, Tamil Nadu
Source of Support: None, Conflict of Interest: None
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