Organoruthenium(II) complexes appended with racemic pyrazoline ligands: integrated experimental and theoretical insights revealing their apoptotic efficacy. (PubMed, Dalton Trans)
Anticancer activity of the racemic complexes C1-C4 against human colorectal adenocarcinoma (HT-29) and human lung cancer (A549) cell lines assessed using MTT assay indicated the IC50 concentrations ranging from 15.39 to 21.86 µM and 17.29 to 24.29 µM for HT-29 and A549 cells, respectively, and the values are comparable to that of the positive control (cisplatin) and also the same assay was performed on human epithelial kidney cells (HEK-293) to determine the selectivity index of the complexes...The complexes demonstrated favorable binding interactions with B-DNA, BSA, cyclooxygenase-2 (COX-2) and B-cell lymphoma-2 (Bcl-2), with high binding affinity values of -8.12, -6.6, -6.25 and -7.53 kcal mol-1, respectively. Simultaneously, binding interactions of the individual enantiomers (R and S) of the respective pairs of each complex towards the target proteins were also examined, but they did not vary greatly among the complexes.