Study in Silico Alkaloid Compounds Tapak Dara Plant (Catharanthus roseus (L) G. Don) on Antiapoptosis Receptor B-Cell Lymphoma-2 Regulator (Bcl-2) as Anti-Cancer Chronic Lymphocytic Leukemia (CLL)

Sudrajat, Ahmad Kamal and Kundariati, Maisuna (2020) Study in Silico Alkaloid Compounds Tapak Dara Plant (Catharanthus roseus (L) G. Don) on Antiapoptosis Receptor B-Cell Lymphoma-2 Regulator (Bcl-2) as Anti-Cancer Chronic Lymphocytic Leukemia (CLL). In: ICONQUHAS 2018, 2-4 October 2018, Bandung, Indonesia.

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Abstract

Tapak Dara plant (Catharanthus roseus (L) G. Don) has five potential alkaloid compounds as anticancer compounds. This study aims to determine the potential of alkaloid as an anticancer Chronic Lymphocytic Leukemia (CLL) with B-Cell lymphoma-2 receptor (Bcl-2). The method of this research is in silico. The compounds used are, vinblastine, vincristine, vindensine, vinflunine, and vinorelbine as well as chlorambucil (leukeran), prednisone, and venetoclax control compounds. The receptor used is B-Cell lymphoma-2 (Bcl-2) with a 2O2F PDB code. The docking process is done with PyRx software. The affinity binding value of vinblastine (-7.2 kcal/mol), vincristine (-3.2 kcal/mol), vindensine (-3.6 kcal/mol), vinflunine (-7.2 kcal/mol), vinorelbine ( -7.1 kcal/mol), chlorambucil (-6.0 kcal/mol), prednisone (-8.0 kcal/mol), and venetoclax (-9.2 kcal/mol). The amiso acid residues that have similarities with the control compound are on vinflunine (Glu133, Asp108, Phe109, Phe150, Phe147); vinorelbine (Asp108, Gly142, Phe150, Phe147, Phe109); and vinblastine (Ser133). The five vinca alkaloids are predicted to be effective as anticancer Chronic Lymphocytic Leukemia (CLL), namely vinflunine, vinorelbine, and vinblastine.

Item Type: Conference or Workshop Item (Paper)
Uncontrolled Keywords: catharanthus roseus (l) g don; bcl-2; alkaloid; chronic lymphocytic leukemia; apoptosis docking
Subjects: H Social Sciences > H Social Sciences (General)
Depositing User: EAI Editor IV
Date Deposited: 12 Jul 2021 12:48
Last Modified: 12 Jul 2021 12:48
URI: https://eprints.eudl.eu/id/eprint/4575

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