Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry
ISSN: 0975-413X
Benni Iskandar
Sekolah Tinggi Ilmu Farmasi Riau, Jalan Kamboja, Simpang Baru Panam, 28292, IndonesiaPublications
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Research Article
Docking studies of chalcone analogue compounds as inhibitors for breast cancer MCF7 cell line
Author(s): Neni Frimayanti*, Benni Iskandar and Regina Dewi Putri
Molecular docking studies of chalcone analogue with the protein target from the crystal structure modeling of H-RAS P21 Triphospate enzyme (PDB ID: 5P21) was carried out using computational approach with Autodock Vina program. The aims of this study is to determine the activity of 15 chalcone analogue, these compounds were obtained from the previous studies as breast cancer inhibitors and also to compare the activity of several chalcone analogue with the doxorubicin. Doxorubicin is used as a positive control. Based on the docking results, it is showed that compound 4 has a greater potential to be used as an inhibitor of MCF-7 breast cancer cells than the other test compounds. Compound 4 has the binding affinity energy of -9.0 kcal/mol, it is indicated that ligand perform a bonding with the receptor through the eleven active sites of doxorubicin. This c.. Read More»
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