Research Article
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)
@INPROCEEDINGS{10.4108/eai.2-10-2018.2295578, author={Ahmad Kamal Sudrajat and Maisuna Kundariati}, title={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)}, proceedings={Proceedings of the 2nd International Conference on Quran and Hadith Studies Information Technology and Media in Conjunction with the 1st International Conference on Islam, Science and Technology, ICONQUHAS \& ICONIST, Bandung, October 2-4, 2018, Indonesia}, publisher={EAI}, proceedings_a={ICONQUHAS}, year={2020}, month={5}, keywords={catharanthus roseus (l) g don; bcl-2; alkaloid; chronic lymphocytic leukemia; apoptosis docking}, doi={10.4108/eai.2-10-2018.2295578} }- Ahmad Kamal Sudrajat
Maisuna Kundariati
Year: 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)
ICONQUHAS
EAI
DOI: 10.4108/eai.2-10-2018.2295578
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.
