A holistic virtual screening to find novel inhibitors from alangium salvifolium (alangiaceae) for receptor tyrosine kinases inhibition

Tyrosine kinase has important mediators of the signaling cascade, determining key roles in diverse biological processes like growth, differentiation, metabolism and apoptosis in response to external and internal stimuli. The inhibitors of the receptor tyrosine kinase (RTKs), have been used as the most modern and effective tools in the treatment of several types of cancer. Thus, there is a direct need for the search of novel inhibitors with fewer side-effects. Secondary metabolites obtained from Alangium salvifolium (Alangiaceae) an ayurvedic medicinal plant used for the treatment of hemorrhoids, rheumatic arthritis, loose stools, herpes, blood disorders etc. Therefore, the current study focuses on finding a common inhibitor from available natural products, which bind with both SRC-1 and ErbB1 types of receptor tyrosine kinases. A variety of virtual throughput screening approaches have been adopted in this study, including receptor ligands retrieving or preparation and structure analysis, 3D pharmacophore, docking studies, An in silico study confirmed the four phytochemicals, which need to be confirmed through in vivo studies.