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INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH

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IJPR included in UGC-Approved List of Journals - Ref. No. is SL. No. 4812 & J. No. 63703

Published by : Advanced Scientific Research
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0975-2366
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IJPR 9[3] July - September 2017 Special Issue

July - September 9[3] 2017

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INSILICO DRUG DESIGN AND MOLECULAR DOCKING STUDIES OF SOME NATURAL PRODUCTS AS TYROSINE KINASE INHIBITORS

Author: ASHISH SHAH, KIRTAN SANGHVI, DIPEN SUREJA, K. SETH
Abstract: 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.
Keyword: Natural products, tyrosine kinase, docking, ADMET study
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0.12
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