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INSILICO DRUG DESIGN AND MOLECULAR DOCKING STUDIES OF SOME NATURAL PRODUCTS AS TYROSINE KINASE INHIBITORS
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| Author:
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ASHISH SHAH, KIRTAN SANGHVI, DIPEN SUREJA, K. SETH
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| Abstract:
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Protein Tyrosine kinases regulate cell proliferation; cell differentiations and signaling processes. Tyrosine kinases
involved in diverse biological processes like growth, differentiation, metabolism and apoptosis in response to external
and internal stimuli, mediator of signaling cascade. Uncontrolled signaling from receptor tyrosine kinases and
intracellular tyrosine kinases can lead to diseases conditions such as cancer, atherosclerosis, and psoriasis. Natural
products have been the most productive sources of lead for the development of drugs particularly as anti-cancer agents
and anti infectives. Therefore aim of presenting work is to study the interaction of some natural products with selected
tyrosine kinase receptor by in Silico molecular docking approach. Docking studies were carried out using PyRx and
Auto dock version 4.0. Validation of ligands was carried out by using Lipinski rule of five. Many of the ligands show very
good binding affinity against targeted protein. Compound NP1, NP3 and NP7 have higher binding affinity comparison
with standard drug Semaxinib. Higher binding affinity and drug likeliness of compound NP1, NP3 and NP7 suggest it
could further explored as tyrosine kinase inhibitors.
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| Keyword:
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Natural products, tyrosine kinase, docking, ADMET study
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| EOI:
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| DOI:
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| Download:
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