Targeting RSK2 for Treatment of Osteoarthritis- an in Silico Study

Abstract

Osteoarthritis (OA) is the prominent cause of joint pain in elderly patients, exhibited by continuous degradation of articular cartilage; consequently resulting in the loss of cartilage specific type II collagen (CII) and over expression of Rsk2. Rsk2 is considered to be the regulator of bone formation in vivo. Since, Rsk2 plays a pivotal role in the loss of functional and structural integrity of cartilage, hence, inhibiting Rsk2 would seem to be a prudent therapeutic tool. Therefore, this study mainly highlights the complex interaction between the ligand and the protein by examining the ligand links. Moreover, docking and 2D-QSAR methods will act as a useful and informative resource in getting the pharmacophore band structure. Comparative study of docking resulted in considering Phosphoaminophosphonic acid to be a good choice of ligand. The mathematical analysis for QSAR has aided in constructing ligand-target (L-T) and Li-T-Di (L-T-D) networks and in elucidating out the pharmacological effects too. Hence, through these methods, a new aspiration is emerging for the treatment of Osteoarthritis through the promiscuous effect of Rsk2 inhibitor and 2D-QSAR respectively.