Preetama Singh and Pallavi Somvanshi
Posters-Accepted Abstracts: Biol Syst Open Access
Snake bite is a serious medical problem especially in the tropical and subtropical countries including India. Snake Venom is the most dangerous and toxic protein of everything secreted from snakes poison glands. Phospholipase-A2 or PLA2 is the most affective and dangerous one. This PLA2 is the membrane protein responsible for releasing Arachidonic acid which causes serious inflammatory affect over the victim. Ursolic acid which is a natural occurring terpinoid generally found in fruits has the anti-functional properties against this PLA2. Ursolic acid (3beta-hydroxy-urs-12-en-28-oic acid) isolated from many medicinal plants and has diverse pharmacologically important properties, including strong anti-inflammatory effect. QSAR models can also be used in designing new chemical entities (NCEs) and identify the most promising hit compounds along with reduced number of costly experiments at low cost. In this work, molecular modeling and QSAR studies of a set of 34 compounds, ursolic acid derivatives as phospholipase A2 antagonists were performed. QSAR results indicate the proposed kNN-MFA 3D-QSAR model gave good statical result in term of (q�?²=0.8956) and coefficient (pred_r�?²=0.8756) and provided most significant co-relation of steric field descriptors with the biological activities, therefore these model can be able to increase the activities of non-peptidic phospholipase A2 inhibitors from further modification of known ursolic acid derivatives.
