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INTERNATIONAL JOURNAL OF CREATIVE RESEARCH THOUGHTS - IJCRT (IJCRT.ORG)
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Published Paper Details:
QSAR STUDY FOR THE TREATMENT AND PREVENTION OF THROMBOSIS USING MER SPECIFIC TYROSINE KINASE INHIBITORS
Authors
Dr Manish Rao Ambedkar,Monika Sharma,Dr Madhu Gupta,Bhakti Kumari,Dr Seema Kohli
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Keywords
QSAR, Anti-platelet compounds, Thrombosis using Mer, tyrosine kinase inhibitors.
Abstract
Anti-platelet compounds are an important drug for cardiovascular diseases and for certain surgical procedures where a risk of stroke or thrombosis. Mer is a member of the TAM (Tyro3, Axl and Mer) receptor tyrosine kinase (RTK) subfamily with growth-arrest-specific-6Gas6) as one of the endogenous ligands. Currently, Mer has been shown to play important roles in regulating macrophage activity and platelet aggregation. The role of Mer kinase in regulating the second phase of platelet activation generates an opportunity to use Mer inhibitors for preventing thrombosis with diminished likelihood for bleeding as compared to current therapies. The QSAR tries to explain the observed variance in the biological effect of certain classes of compounds as a function of molecular changes caused by the substituents. These physiochemical descriptors which included parameters to account for hydrophobicity, electronic properties and steric effect are determined empirically or, more recently, by computational methods. QSAR methodologies save resources and expedite the process of the development of new molecules and drugs. In our works, we calculated many descriptors from the 43 molecular structures in literature1 by the software Dragon, MLR Methods was used to select descriptor and set up linear model. Then we developed a new QSAR model to explore the IC50 of anti-thrombosis the compounds with diverse structures. The square of correlation coefficient (R2) for best model with penta molecular descriptors after deletion of three compound is 0.9326. The best model since the values R = 0.9657, R2 = 0.9326 , R2A = 0.9227 , R2cv = 0.9325 are the best as compared to all the models. The calculated F value is greater than F theoretical value , the value of standard error of estimate is the lowest , SE = 0.5655, PRESS/SSY = 0.06743 confirms that it is statistically significant and excellent model and it has been found to be having outstanding predictive power also. The present finding the based on QSAR are in excellent agreement with the result obtain by Linhao Xu et al.
IJCRT's Publication Details
Unique Identification Number - IJCRT2201163
Paper ID - 214481
Author type - Indian Author
Page Number(s) - b284-b309
Pubished in - Volume 10 | Issue 1 | January 2022
DOI (Digital Object Identifier) -
No Of Downloads - 401
Author Country - India, 203207, Greater Noida, Greater Noida, 203207, Chemistry All
Publisher Name - IJPUBLICATION | www.ijcrt.org | ISSN : 2320-2882
E-ISSN Number - 2320-2882
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Dr Manish Rao Ambedkar,Monika Sharma,Dr Madhu Gupta,Bhakti Kumari,Dr Seema Kohli, "QSAR STUDY FOR THE TREATMENT AND PREVENTION OF THROMBOSIS USING MER SPECIFIC TYROSINE KINASE INHIBITORS", International Journal of Creative Research Thoughts (IJCRT), ISSN:2320-2882, Volume.10, Issue 1, pp.b284-b309, January 2022, Available at :http://www.ijcrt.org/papers/IJCRT2201163.pdf
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