Human phospholipase A₂ (hPLA₂) of the IIA group (HGIIA) catalyzes the hydrolysis of membrane phospholipids, producing arachidonic acid and originating potent inflammatory mediators. Therefore, molecules that can inhibit this enzyme are a source of potential anti-inflammatory drugs, with different action mechanisms of known anti-inflammatory agents. For the study and development of new anti-inflammatory drugs with this action mechanism, snake venom PLA₂ (svPLA₂) can be employed, since the svPLA₂ has high similarity with the human PLA₂ HGIIA. Despite the high similarity between these secretory PLA₂s, it is still not clear if these toxins can really be employed as an experimental model to predict the interactions that occur with the human PLA₂ HGIIA and its inhibitors. Thus, the present study aims to compare and evaluate, by means of theoretical calculations, docking and molecular dynamics simulations, as well as experimental studies, the interactions of human PLA₂ HGIIA and two svPLA₂s,Bothrops toxin II and Crotoxin B (BthTX-II and CB, respectively). Our theoretical findings corroborate experimental data and point out that the human PLA₂ HGIIA and svPLA₂ BthTX-II lead to similar interactions with the studied compounds. From our results, the svPLA₂ BthTX-II can be used as an experimental model for the development of anti-inflammatory drugs for therapy in humans.

• Keywords
• experimental model, svPLA2, vanillic acid,
• MeSH
• Anti-Inflammatory Agents chemistry   MeSH
• Crotoxin metabolism   MeSH
• Group II Phospholipases A2 MeSH
• Phospholipases A2 chemistry   MeSH
• Phospholipase A2 Inhibitors chemistry   MeSH
• Crotalid Venoms enzymology   MeSH
• Vanillic Acid chemistry   MeSH
• Humans MeSH
• Amino Acid Sequence MeSH
• Molecular Docking Simulation MeSH
• Hydrogen Bonding MeSH
• Check Tag
• Humans MeSH
• Publication type
• Journal Article MeSH
• Research Support, Non-U.S. Gov't MeSH
• Names of Substances
• Anti-Inflammatory Agents MeSH
• bothropstoxin II MeSH Browser
• Crotoxin MeSH
• Group II Phospholipases A2 MeSH
• Phospholipases A2 MeSH
• Phospholipase A2 Inhibitors MeSH
• Crotalid Venoms MeSH
• Vanillic Acid MeSH