‘In-silico Screening of Bioactive Compounds Derived from Artemisia annua Against Cancer”

Abstract

According to WHO Global Cancer Observatory (GLOBOCAN) in 2018; 18.08 millions new cases of cancer have been diagnosed worldwide, from which 2.09 million cases of trachea and bronchus(of lungs), 2.09 million cases of breast and 1,28 million cases of prostate are found frequently.so basically cancer is genetic diseases and mainly arise due to number of reasons including activation of onco-gene, malfunction of tumour suppressor genes or mutagenesis. There are several medicines in market but those are not fully effective and safe. To treat the cancer Artemisia annua is used; which belongs to family Asteraceae and commonly known as sweet wormwood. The 3D crystallographic structure of human progesterone receptor (1E3K) was downloaded from Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and a protein target for in-silico experiments. Software like PubChem is used to obtain ligand as well as PyRx, Bio Discovery Studio and Ramachandran Plot used for Molecular Docking. This study revels that A. annua may show anticancer activity responsible for cancer as predicted by in-silico. Molecular docking suggest that Quercetin (-8.2kcal/mol) and Kaempferol (-8.1kcal/mol) have higher binding affinity than Chrysosplenol D(-7.8kcal/mol), Artemisinin (-6.7kcal/mol) and Coumarin (-6.0kcal/mol) which have less binding affinity.