ArticleViewAbstractPharmacognosy Journal,2023,15,4,500-505.DOI:10.5530/pj.2023.15.109Published:August 2023Type:Original Article Molecular Docking of Thaflavine from Camellia sinensis in Inhibiting B-Cell Lymphoma Through BCl2 Apoptosis Regulator: An In Silico StudyRahadian Zainul, Rismi Verawati, Herland Satriawan, Teresa Liliana Wargasetia, Devi Purnamasari, Amalia Putri Lubis, Bahrun, Riso Sari Mandeli, Muhammad Thoriq Albari, Viol Dhea Kharisma, Vikash Jakhmola, Maksim Rebezov, and ANM Ansori Rahadian Zainul1,8,*, Rismi Verawati1, Herland Satriawan2, Teresa Liliana Wargasetia3, Devi Purnamasari4, Amalia Putri Lubis1, Bahrun5, Riso Sari Mandeli6, Muhammad Thoriq Albari7, Viol Dhea Kharisma9,10, Vikash Jakhmola11, Maksim Rebezov12,13, ANM Ansori9,10,11 1Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA. 2Institute of Ocean and Earth Sciences, Advanced Studies Complex, University Malaya, Kuala Lumpur, MALAYSIA. 3Faculty of Medicine, Universitas Maranatha Christian, Bandung, INDONESIA. 4Department of Radiology, Universitas Awalbros, Pekanbaru, INDONESIA. 5Doctoral student of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Hasanuddin, INDONESIA. 6Environmental and Policy Researcher, Environmental Science Program, Universitas Negeri Padang, INDONESIA. 7Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA. 8Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, INDONESIA. 9Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA. 10Generasi Biologi Indonesia Foundation, Gresik, INDONESIA. 11Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA. 12Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION. 13Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION. Abstract:This study aims to analyze the potential of Thaflavine, a compound found in green tea (Camellia sinensis), as an inhibitor in inhibiting B-cell lymphoma through its interaction with the BCl2 apoptosis regulator using an in-silico approach. The research methodology involved the use of software tools such as PyMOL, PyRx, Protein Plus, and the Lepinski Rule. Through molecular docking analysis using PyMOL and PyRx, the findings of this study demonstrate significant interactions between Thaflavine and BCl2, with Binding Affinity values of -5.5, -4.6, and -4.6, and RMSD values of 0, 1.436, and 2.292. The analysis using Protein Plus indicates the presence of interactions between Thaflavine and BCl2. Additionally, the analysis using the Lepinski Rule of Five reveals that Thaflavine meets the criteria as a potential drug compound, with a molecular weight of 549, 9 hydrogen bond donors, 12 hydrogen bond acceptors, a log P value of -2.5, and a molar reactivity of 119.17. The findings of this study provide important contributions to the development of therapies for B-cell lymphoma through an in-silico approach. However, further research is needed for in vitro and in vivo validation. Keywords:Apoptosis Regulator BCl2, B-cell Lymphoma, Camellia sinensis., In-Silico Thaflavine, Molecular dockingView:PDF (1.02 MB) PDF Images Graphical Abstract ‹ In Silico Study on the Potential of Guaiacol Extract from Green Tea (Camellia sinensis) as a Stimulant for Carbanoic Anhydrase II in Renal Tubular Acidosis up Study on the Inhibition of Sinensetin Extract from Cat's Whiskers Plant (Orthosiphon aristatus) on ATP Binding Cassette Sub-Family G Member 2 in Uric Acid ›