Volume 15, Issue 36, July - December, 2021

Structural insight into antagonist action of multi-targeted phytochemicals on cardiovascular drug targets

Vallinayagam S¹, Arokiyaraj V², Anooj ES³, Sanjith S⁴, Sakthivel G⁵, Munawar TM⁵, Rudrapal M^6♦

¹Department of Biotechnology, Mepco Schlenk Engineering College, Sivakasi 626005, Tamilnadu, India
²Department of medical biochemistry, Dr. A. L. M. Post Graduate institute of Basic Medical Sciences, University of Madras, Taramani, Chennai 600 113, Tamil Nadu, India
³Xcellogen Biotech India Pvt Ltd, Opposite Federal, Bank, Pattoor, Thiruvananthapuram, Kerala 695035
⁴Department of Computer Science, St. Alphonsa College of Arts and Science, Karinkal 629157, Tamilnadu, India
⁵Department of Biological and Chemical Engineering, Mekelle Institute of Technology, Mekelle University, Mekelle1632, Ethiopia
⁶Rasiklal M. Dhariwal Institute of Pharmaceutical Education & Research, Chinchwad, Pune 411019, Maharashtra, India

^♦Corresponding author
Rasiklal M. Dhariwal Institute of Pharmaceutical Education & Research, Chinchwad, Pune 411019, Maharashtra, India

ABSTRACT

In Cardiovascular diseases while doing multi targeted drugs designing, we investigated that the targets and plants can be given for cardiovascular diseases. One drug one target is not favourable to treat the disease in better way, so many of the modern researchers focused on the one drug multiple target and poly herbal pharmacology. In this study ACE, COX, HMGR, and RENIN were taken as the drug targets, those proteins involved in the biochemical pathways of cardiovascular disease. Molecular docking studies with phytochemicals of certain plants, which are suggested by the ayurvedic physicians and the multiple target proteins helps to screen multi targeted drug and develop the poly herbal formulation. In this study the highly interacted and multi targeted phytochemicals has been screened as Shinpterocarpin, 6H-Quinindoline, Glabridin, Jusbetonin, RheediaxanthoneA, and Friedelin. In docking study, all the screened phytochemicals showed very good binding affinities against the cardiovascular drug targets. Hence, these phytocompounds can be used lead molecules to develop drugs for the treatment of cardiovascular diseases after successful experimental investigations.

Keywords: Cardiovascular diseases, drugs designing, herbal pharmacology, multi targeted drug, docking

Drug Discovery, 2021, 15(36), 202-214

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