Qsar And Qspr Studies Of 3,4-Dihydro-3-(3-Methylisoxazol-5-Yl)-2h-Benzo[E][1,3]-Oxazines And 6-3-(Trifluoromethyl) Phenyl)-3,4-Dihydro-3-(3methylisoxazol-5-Yl)-2h-Benzo[E][1,3]Oxazines

Posted by ijrrpas | Posted in IJRRPAS (2017) VOL.7(1) | Posted on 29-08-2017

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Authors:
Srinivas Marri, M.P.S.Murali Krishna, Ramu Kakkerla

Abstract:
Besides biological reactivity against a target which is primary requirement, there are so many essential properties and characteristics that are mandatory to be possessed by a molecule to consider as drug. The use of computational methods for designing of molecules with desired activity, reactivity or property has been a growing area in chemistry and medicine. In this direction QSAR analysis performed considering some important activity properties like BCF, adsorption coefficient, partition coefficients, probable plasma binding property, p-gp inhibiting characteristics, non geno-toxicity, AMES test possibilities, hERg inhibiting probabilities, endocrinal disruptor tendency, and Drug’s pharmacokinetics like adsorption, distribution, metabolism and elimination in the human body can be inferred from Lipinski’s rule molecular properties. the bio-chemical reactivity of reactants in specified biochemical activity is related to chemical structural derivatives of 3,4-dihydro-3-(3-methylisoxazol-5-yl)-2H-benzo[e][1,3]oxazines and 6-3-(trifluoromethyl) phenyl)-3,4-dihydro-3-(3methylisoxazol-5-yl)-2h-benzo[e][1,3]oxazines.

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