Molecular docking and computational studies investigation on a bioactive anti-cancer drug: Thiazole derivatives

In the present work, the 1-Benzyl-3-[2-(3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5(4H)-ylidene]-2,3-dihydro-1H-indol-2-one (BCPOT) anticancer candidates to treatment of breast cancer based on B3LYP level 6-31G(d,p) and LanL2DZ basis sets...

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Veröffentlicht in:	Indian journal of chemical technology 2022-11, Vol.29 (6), p.616
Hauptverfasser:	Viji, A, Vijayakumar, R, Balachandran, V, Vanasundari, K, Janaki, M
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino acids Anticancer properties Antitumor agents Breast cancer Cancer Computer applications Electrostatic properties Energy distribution Ligands Mathematical analysis Molecular docking Molecular orbitals Potential energy
Online-Zugang:	Volltext
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