TY - JOUR AU - GIRIJA R, AU - ARUNA S, AU - SANGEETHA R, PY - 2019/05/07 Y2 - 2024/03/19 TI - IN SILICO DOCKING ANALYSIS OF YOHIMBINE ALKALOIDS FROM CATHARANTHUS ROSEUS AGAINST DENGUE FEVER: Insilico Docking Studies JF - Asian Journal of Pharmaceutical and Clinical Research JA - Asian J Pharm Clin Res VL - 12 IS - 5 SE - Original Article(s) DO - 10.22159/ajpcr.2019.v12i5.32815 UR - https://journals.innovareacademics.in/index.php/ajpcr/article/view/32815 SP - 344-354 AB - <p><strong>Objective: </strong>In this docking study was performed by the active site of NS2B-NS3 protease with selected plant alkaloids derived from <em>Catharanthus roseus</em>. On the basis of docking results, out of the nine alkaloids yohimbine might be considered as the best inhibitors of NS2B-NS3 protease protein.</p><p><strong>Methods: </strong>Lipinski rule was employed to check the ligand likeliness of the compound. The three-dimensional crystallographic structure of NS2B-NS3 protease (ID.2FOM) fetched from the protein data bank. The <em>in silico </em>docking studies were performed by “AutoDock version 4.2” software tool.</p><p><strong>Results: </strong>Yohimbine is having the best binding score (−7.18 Kcal/mol) than the other eight compounds.</p><p><strong>Conclusion: </strong>Hence, it has been concluded yohimbine as a novel inhibitor for NS2B-NS3 protease in dengue fever.</p> ER -