Isolation and Characterization of topo-poisons from Arthrospira Platensis: An in-silico approach

摘要

Breast cancer is diagnosed in every 29 seconds around the world and the Indian Council of Medical Research (ICMR) said in 2016 the total number of new cancer cases is expected to be around 14.5 lakh and the figure is likely to reach nearly 17.3 lakh new cases in 2020. Hence there is a need for the discovery of novel anti breast cancer, dual human topoisomerase I & II leads. Hence the current research is focused to isolate and characterize a novel sulpha lipid, Sulpho quinovosyl diacyl glycerol (SQDG) from Arthospira platensis (Phormidiaceae) using flash chromatography and LCMS (ESI-MS). The percentage yield of isolated SQDG was found to be 20.5 % w/w. The Isolated SQDG showed significant in vitro anticancer activity on MCF-7 cell lines with CTC50 value of 0.46 μm in compare to standard quercitin. In order to propose the molecular mechanism of apoptosis, the isolated lipids (GLAME and SQDG) have been docked into the crystal structure of topoisomerase I (1K4T, 3AL2) and topoisomerase II (1ZXN, 3QX3) using Schrödinger suite, 2014-3. The in silico results showed that SQDG may be a potent Human topoisomerase I & II poison. Hence the current molecule may act as a lead molecule in anticancer therapy.