In-Silico Anticancer activity of cow urine extract of Kappaphycus alvarezii

Abstract

Cow urine therapy is an age old concept in Ayurveda that is concerned with using the components of cow urine for treating various body disorders. Phytochemical are the secondary metabolites of algae and medicinal plants and are considerably used in traditional cancer research. Homo sapiens c-Jun NH2-terminal kinases (JNKs) are enzymes critical in chronic diseases. JNKs are proteins best known for its role in the activation of the c-Jun/activator protein-1 (AP-1) transcription–factor complex. Follistatin has several tumorigenesis functionality and most direct connections to cancer such as prostate, colon, and ovarian cancer. Targeting JNKs inhibition and Follistatin might initiate the clinical benefits in chronic disease like lung, skin and other cancers. In-Silico approach is an attempt at identifying the anticancer activity of cow urine extract of red algae Kappaphycus alvarezii Phytochemicals against the cancer target Homo sapiens JNKs and Follistatin. The dataset comprising of phytochemical compounds obtained from GCMS of algae for molecular docking in AutoDock 4.2. The ligands Cyclopentanepropanoic acid and Benzyl-malonic acid showed minimum binding energy −5.58 kcal/mol with c-Jun NH2-terminal kinases (PDB ID-1JNK) and −5.01 kcal/mol with Follistatin (PDB ID-2BOU). The compound Cyclopentanepropanoic acid and Benzyl-malonic acid interacted with several amino acid residues, of which alanine-74 and serine-55 was found to be common among all the target enzymes for protein and hydrogen bond formation. Results of our study suggested that molecular docking approach could be a potential tool to identify the hydrogen bond interactions and the molecular mechanisms of diseases. It was concluded that Cyclopentanepropanoic acid and Benzyl-malonic acid ligands would be of potent drug targets to treat various cancers based on the docking approach.