02106nas a2200217   4500008004100000245007300041210006900114260000900183300001600192490000700208520144800215653001001663653001101673653001601684653002001700653001001720100002001730700001601750700002301766856009901789       2023                        eng d00aIn vitro anticancer evaluation of enceleamycin A and its underlying 0 aIn vitro anticancer evaluation of enceleamycin A and its underly  cNOV   a34183-341930 v133 a<p>It has become more crucial than ever to find novel anticancer compounds due to the rise in cancer mortality and resistance to the present chemotherapeutic drugs. Naphthoquinones are regarded as privileged structures for their ability to inhibit various cancers. The current study examined three novel furo-naphthoquinones (Enceleamycins A-C) previously isolated from Amycolatopsis sp. MCC 0218 for their anticancer potential. Enceleamycin A demonstrated considerable cytotoxicity for triple-negative breast cancer (TNBC) MDA-MB-231 cells with an IC50 value of 1.25 mu g mL(-1) (3.78 mu M). It also showed the ability to inhibit MDA-MB-231 cell migration. Enceleamycin A raises intracellular ROS levels in TNBC cells, ultimately leading to apoptotic cell death, as demonstrated by Annexin V/PI staining. The molecular docking and simulation investigation revealed better binding affinity of Enceleamycin A with AKT2, which plays a vital role in breast cancer's invasiveness and chemo-resistance. Enceleamycin A inhibits the AKT2 enzyme in vitro with an IC50 value of 0.736 mu g mL(-1) (2.22 mu M), further validating the docking study. The in silico physicochemical and pharmacokinetics characteristics of Enceleamycin A demonstrated its drug-likeness. Intriguingly, Enceleamycin A is non-hemolytic in nature. Taken together, Enceleamycin A could be a candidate molecule for treating TNBC cells by targeting the AKT2 signaling pathway.</p>
10aAssay10acancer10aDerivatives10aNaphthoquinones10aPlays1 aKhan, Abujunaid1 aPradeep, S.1 aDastager, Syed, G.  uhttps://library.ncl.res.in/content/vitro-anticancer-evaluation-enceleamycin-and-its-underlying