IN SILICO STUDY TO DETERMINE THE POTENTIAL OF ALLIUM SATIVM TO PREVENT ISCHEMIC STROKES

Abstract

Blood clots are the double-edged swords. They are extremely important to prevent bleeding events which can be fatal. But on the flip-side they are the reasons for deaths and disabilities due to strokes and heart attacks. Formation of a clot is a multistep process that involves a number of proteins and signaling molecules. Platelets, also call thrombocytes, are one of the major components of a blood clot. Thrombus is actually another term for clot. The Anti-platelets drugs, as the name suggests, interfere with the ability of platelets to form a clot and are prescribed for the treatment of acute ischemic strokes as well as myocardial infarction. Aspirin is one of the well-known examples of such drugs. Interestingly, Allium sativum commonly called as Garlic has shown to have numerous beneficial pharmacological properties such as antioxidant, anti-inflammatory, anti-atherosclerotic, antihypertensive, antidiabetic and even anticarcinogenic. Several studies have also demonstrated the anti-platelet activities of garlic extracts by inhibition of several proteins involved in platelet aggregation. The purpose of this study is to investigate the potential of phytochemicals from garlic to be used as a dietary supplement for preventing occurrence of stroke in high-risk patients. Molecular Docking and ADMET analysis were performed using various computational tools such as BioVia Discovery Studio, UCSF Chimera and PyRx Virtual Screening Tool, as well as web tools SwissADME and Pro-Tox 3.0. Alliin was the one test ligand that had comparatively highest binding affinity with all the platelet membrane proteins. All the test ligands were comparatively less toxic than the control drugs. More research including in vivo experimentations and other downstream preclinical and clinical drug development procedures are required. Phytoconstituents in garlic definitely have potential to be used as natural supplements helping people live a healthier life.