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Background: The role of Retinoic acid receptor-related orphan receptors in cancer development has raised the interest to develop multi-functional agents. Objective: The main purpose of this work was in silico design and synthesis of potential anticancer candidates with antioxidant effect. Methods: The compounds were designed based on their docking studies with respect to the RORγt receptor. Using the Gewald protocol, a series of new tetrahydrobenzothiophene derivatives was synthesized. The physicochemical and spectroanalytical findings including FTIR, 1H-NMR, 13C-NMR, and mass spectroscopic techniques, verified the molecular structures of the synthesized derivatives. The anticancer and antioxidant potential of the synthesized compounds was assessed in vitro. The compounds were tested by the National Cancer Institute, USA for anti-cancer action towards different cell lines representing nine cancerous conditions. The antioxidant activity of compounds was assessed in vitro using the DPPH free radical scavenging method. Results: Docking analysis on RORγt receptors revealed that the test compounds could have anticancer potential. Within the binding pocket of the chosen PDB ID (6q7a), RCA3 and RCA5 showed good docking scores in molecular docking studies, validating their capability of being used in rational drug design as lead compounds. Compounds showed diversified ratios of anti-cancer activity. RCA5 and RCA7 showed excellent antioxidant activity in reference to ascorbic acid with IC50 values of 18.71μg/mL and 20.88μg/mL. Conclusion: Cytotoxicity results very well complemented the docking scores. Compounds RCA3 and RCA5 displayed higher anticancer activity in the subpanels of leukemia, breast cancer, and lung cancer. Compounds RCA5 and RCA7 displayed potent antioxidant action comparable to ascorbic acid while other compounds presented mild to good antioxidant behavior.

aims: This work focuses on the antibacterial activity of chalcones against Staphylococcus aureus, which causes several diseases and is one of the main microorganisms with increasing resistance to conventional drugs. background: Studies with natural or synthetic products from chalcones have shown to be very promising due to their peculiar structure that allows different possibilities of reallocations that will define their diverse bioactivities in the creation of new substances. This creation is facilitated by the synthesis of substances in conjunction with the molecular study, which allows a considerable advance in research, reducing the number of in vitro tests. objective: This work focuses on the antibacterial activity of chalcones against Staphylococcus aureus, which causes several diseases and is one of the main microorganisms with increasing resistance to conventional drugs. method: Articles that studied antibacterial activity, efflux pump, or molecular docking were considered as complementary analysis in chalcones. From these data, molecular docking and ADMET of the first five chalcones were performed with the best activity found. result: The result of the antimicrobial activity against Staphylococcus aureus was confirmed through in silico study and pharmacokinetic data. conclusion: The results of the antimicrobial activity of the most active chalcones against Staphylococcus aureus was supported by in silico and the pharmacokinetic study which not only confirmed their potential to act against resistant strains but also established in future utility of chalcones as lead molecules or prototypes for the synthesis of potent new antimicrobial agents against Staphylococcus aureus. other: None