Linda Rosalina, Devi Purnamasari, Rismi Verawati, Okta Suryani, Muhammad Arya Ghifari, Amalia Putri Lubis, Rahadian Zainul, Riso Sari Mandeli, Viol Dhea Kharisma, Vikash Jakhmola, Maksim Rebezov, A.N.M. Ansori
This research discusses an in-silico study of sitogluside found in the clove plant (Syzygium aromaticum) as a potential inhibitor of B and T cell proliferation through interaction with Interleukin-2. This study utilizes methods such as Swiss Target Prediction, Pymol, Pyrex, Protein Plus, and Lipinski's Rule to predict the biological activity and pharmacokinetic characteristics of sitogluside. From the docking simulation results, sitogluside exhibited strong interactions with interleukin-2 with RMSD values of 0, 1.637, and 2.299, and Binding Affinities of -5.7, -5.5, and -5.5, indicating its potential effectiveness as an inhibitor. In addition, sitogluside fulfills Lipinski's rule with a molecular mass of 520, 4 hydrogen bond donors and acceptors, a log P value of 2.3, and a molar reactivity of 133, indicating a high potential for good bioavailability in biological systems. These results suggest that sitogluside from the clove plant holds potential as a new therapy in inhibiting B and T cell proliferation, however further research is needed to validate these findings and explore its potential in clinical treatments. © 2023 Phcogj.Com.
Department of Makeup and Beauty, Faculty of Tourism and Hospitality, Universitas Negeri Padang, Indonesia; Department of Radiology Engineering, Universitas Awalbros, Pekanbaru, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, Indonesia; Environmental and Policy Researcher, Environmental Science Program, Universitas Negeri Padang, Indonesia; Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia; Generasi Biologi Indonesia Foundation, Gresik, Indonesia; Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India; Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, RUSSIAN FEDERATION, Moscow, Russian Federation; Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, Russian Federation
