Salma Kausar M, M. B.K
Dec 15, 2021
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PARIPEX INDIAN JOURNAL OF RESEARCH
Abstract
The aim of the present study is to analyze the molecular aspects of the lignan macelignan, against colorectal cancer receptors, namely vascular endothelial growth factor 2(VEGF-2), cytochrome P450(CYP), caspase-3, BAX, BCl -2, CDK – 2 and epidermal growth factor receptor (EGFR). Macelignan identified as lignan, a polyphenolic phytocompound that has been successfully isolated from Leucas cephalotes & Leucas aspera is traditionally identified as a medicinal herb and several studies have shown that they exert antimicrobial, anticarcinogenic and antiaging property. The docking studies have proven to be an essential tool for opening up the structural diversity of natural products to be used in an orderly manner. Molecular docking was effectively done with Schrodinger Glide software version 2020-4. The binding affinity -1 was found to be in the range of -7.8 to -6.3 kcalmol . From the toxicity assessment, which was carried out with pkCSM online server, it was found that the macelignan had no show skin sensitization, hepatotoxicity and AMES toxicity and that the ADMET behavior was within the acceptable limits of the drug behavior.