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3D QSAR,pharmacophore indentification studies on series of 1-(2-ethoxyethyl)-1H-pyrazolo [4,3-d]pyrimidines as phosphodiesterase V inhibitors
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نویسنده
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choudhari p. ,bhatia m.
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منبع
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journal of saudi chemical society - 2015 - دوره : 19 - شماره : 3 - صفحه:265 -273
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چکیده
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Context: in recent years phosphodiesterase v acts as an attractive target for cardiovascular drug design and qsar techniques are helpful for the optimization of structural requirements for designing novel compounds. objective: the present communication deals with 3d-qsar analysis of 1-(2-ethoxyethyl)-1h-pyrazolo[4,3-d]pyrimidines as phosphodiesterase v inhibitors. materials and methods: the multiple linear regression analysis and knn-mfa analysis were carried out on 33 reported 1-(2-ethoxyethyl)-1h-pyrazolo[4,3-d]pyrimidines in vlife mds 3.5. results: the substitution of electron withdrawing groups in pyrazole ring and sterically less bulkier groups is important for the phosphodiesterase v inhibition indicated by both qsar analyses. conclusion: the two different qsar models are generated by using two different principles,both the models are showing similar results which indicate that this knn-mfa technique can be utilized for cross validation of the results of multiple linear regression studies. © 2012.
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کلیدواژه
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3D QSAR; K-Nearest neighbor molecular field analysis (kNN-MFA; Molecular modeling; Multiple linear regression analysis; Phosphodiesterase 5; Vascular smooth muscle relaxant; Vlife MDS 3.5
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آدرس
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department of pharmaceutical chemistry,bharati vidyapeeth college of pharmacy,kolhapur, India, department of pharmaceutical chemistry,bharati vidyapeeth college of pharmacy,kolhapur, India
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Authors
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