PT  - JOURNAL ARTICLE
AU  - BRYAN ALEJANDRO ESPINOSA-RODRIGUEZ
AU  - AISSA MICHELLE NIETO-MORENO
AU  - EDER UBALDO ARREDONDO-ESPINOZA
AU  - FRANCISCO GUADALUPE AVALOS-ALANÍS
AU  - ISAIAS BALDERAS-RENTERIA
TI  - Comparative Anticancer Activity and Molecular Docking of Different Isatin-Based Scaffolds
AID  - 10.21873/anticanres.15310
DP  - 2021 Oct 01
TA  - Anticancer Research
PG  - 4969--4977
VI  - 41
IP  - 10
4099  - http://ar.iiarjournals.org/content/41/10/4969.short
4100  - http://ar.iiarjournals.org/content/41/10/4969.full
SO  - Anticancer Res2021 Oct 01; 41
AB  - Background/Aim: To identify the best of three isatin-based scaffolds in terms of anticancer activity. Materials and Methods: Synthesis of isatin-based scaffolds was performed through a reaction to form Schiff bases. In silico analyses consisted of a target prediction with the Swiss Target Prediction tool and a molecular docking by AutoDock Vina. Anticancer activity and cytotoxicity were determined using the WST1 viability assay. Results: Three scaffolds (IA, IB, and IC) were synthesized and confirmed with good reaction yields. The Swiss Target Prediction tool showed a trend towards kinases. Molecular docking assays demonstrated higher affinity of IC towards CDK2. Anticancer activity assays identified IC as the most active against the cancer cell lines. Cytotoxicity results in non-cancer cells suggested a lack of selectivity. Conclusion: The scaffold IC was identified as the best in terms of anticancer activity and these effects may be due to inhibition of CDK2, as evidenced by molecular docking.