Isothymusin, a Potential Inhibitor of Cancer Cell Proliferation: An In Silico and In Vitro Investigation.

摘要: BACKGROUND Since centuries plant-based compounds are known for the treatment of cancer in both traditional and contemporary medicine. The problems like target non-specificity toxicity well-known regarding anticancer drugs. Therefore, specific search novel entities is constant. Isothymusin a dimethoxy, trihydroxy flavone present plants Ocimum sanctum, Limnophilla geoffrayi. There limited reports available on potential isothymusin. OBJECTIVES effects isothymusin redox status, cell cytotoxicity, targets involved promotion progression cells have been investigated. METHODS Antiproliferative efficacy was evaluated by MTT, Neutral Red Uptake, Sulforhodamine-B assays. spectrophotometric methods were adopted to study effect against selected targets. Redox activity assessed vitro antioxidant assays interaction study, ADMET profiling, assessments done silico. RESULTS scavenges radicals, i.e., DPPH nitric oxide with moderate ferric reducing potential. It affected proliferation leukemia, colon, skin, breast lines more than 50% but moderately prostate, kidney, lung, hepatic, adenocarcinoma (up 48%). inhibited enzymes associated stage cancer, including cycloxygenase- 2 lipoxygenase-5. Additionally, it also markers cathepsin- D, dihydrofolate reductase, hyaluronidase, ornithine-decarboxylase. Besides, silico studies supported enzyme inhibition outcome. Toxicity showed promising results chemical descriptors non-skin-irritant, ocular-irritancy, Ames test confirmed non-mutagenic nature. CONCLUSION radical scavenging anti-proliferative activities, which may be taken up as phytochemical lead synthesis analogues possessing enhanced