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Presuming the Probable Anti-inflammatory Mechanism of Ursolic Acid: a plant derived pentacyclic triterpenoid, using molecular docking | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

Presuming the Probable Anti-inflammatory Mechanism of Ursolic Acid: a plant derived pentacyclic triterpenoid, using molecular docking

Author(s): Anil M. Manikrao, Pravin N. Khatale, Rahul D. Jawarkar, J. V. Vyas, D. T. Mahajan, Vijay H. Masand, Taibi ben hadda

Diverse Non-steroidal anti-inflammatory drugs and COX-2 inhibitors selectively binds to COX-2 and provide relief from the symptoms of pain and inflammation. However, they lack antithrombotic activity and hence lead to cardiovascular and renal liabilities apart from gastrointestinal irritation. To ameliorate the situation, the search can be focused on plant originated natural products that could offer better relief from inflammation than currently used commercial drugs. As an attempt to identify such natural alternates with anti-inflammatory activity, Ursolic acid, a pentacyclic triterpenoid was studied against human COX-2 enzymes using MOE programme. The Docking analysis reveals that Ursolic acid inhibit COX-2 enzyme by hydrophobic and hydrogen bonding interactions.