quantitative structure-activity relationship (QSAR)
BINDING EFFICACY AND ELUCIDATION OF QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP OF ACETANILIDE AND ITS DERIVATIVES WITH BOVINE SERUM ALBUMIN AND THEIR INHIBITION AGAINST COX1
... complex relationship between the molecules and their properties occur in their physicochemical and biomolecular properties as well as in material behavior, in biochemical methods such as molecular docking and ...
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Validation Method Used In Quantitative Structure Activity Relationship
... Quantitative structure activity relationship is study of relationship between physiochemical (independent) properties and biological (dependent) activity of bioactive ...the ...
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Multi-task learning with a natural metric for quantitative structure activity relationship learning
... QSAR: quantitative structure activity relationship; MTL: multi-task learning; DHFR: dihydrofolate reductase; MHC: histocompatibility complex; RNA: ribonucleic acid; DRN: deep ...
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Quantitative Structure Activity Relationship Study of Some Antipsychotics by Multiple Linear Regressions
... Chromatography is a powerful technique for the measurement of physicochemical properties that are used as parameters to correlate biological activities with structures in quantitative ...
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Quantitative structure activity relationship of matrix metalloproteinase inhibitors based on topological descriptors
... Quantitative structure-activity relationship of nineteen matrix metalloproteinase inhibitors based on topological descriptors has been ...biological activity in term of IC 50 values as ...
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Quantitative Structure Activity Relationship Study of Naphthoquinone Analogs as Possible DNA Topoisomerase Inhibitors
... Quantitative Structure Activity Relationship (QSAR) is among the most widely used computational technology for analogue-based drug ...anticancer activity from recently reported ...
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Quantitative Structure Activity Relationship (QSAR) Analysis on Arylbenzofuran Derivatives as Histamine H3 Antagonists
... nowadays, quantitative structure activity relationship (QSAR) has become more popular tool for the prediction of biological activities of ...The quantitative relations between the ...
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Quantitative Structure Activity Relationship Analysis of Selected Chalcone Derivatives as Mycobacterium tuberculosis Inhibitors
... anti-tuberculosis activity by chalcone derivatives of 1,3-diphenylprop-2-ene-1-one, quantitative structure activity relationship (QSAR) was performed using genetic function ...
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QSAR DataBank repository: open and linked qualitative and quantitative structure–activity relationship models
... name quantitative structure– activity relationships, (Q)SARs, and have a wide range of complexities and ...chemical structure and physi- cal or chemical processes that occur in organisms or in ...
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A REVIEW ON- QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP
... linear relationship between response and log dose in the mid region of the log dose-response ...for activity (log 1/C) are used so that higher values are obtained for more effective ...
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DESIGN OF HYDROXY XANTHONES DERIVATIVES AS ANTICANCER USING QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP
... describe the role or position of atoms which are the most influential on the anticancer activity. The 24 active compounds with their in vitro inhibition concentration were randomly divided into the training set of ...
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Quantitative Structure Activity Relationship (QSAR) Based on Electronic Descriptors and Docking Studies of Quinazoline Derivatives for Anticancer Activity
... predicted activity than b1 as the most active in the existing quinazoline ...better activity and resulted hydrogen bond interaction in critical place which is Met769 amino acid ...
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Biological activity, quantitative structure–activity relationship analysis, and molecular docking of xanthone derivatives as anticancer drugs
... anticancer activity were conducted by using the semi- empirical Austin Model-1 method, and continued with quantitative structure-activity relationship (QSAR) analysis using BuildQSAR ...
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Quantitative structure activity relationship study of parasubstituted trans and cis tamoxifen derivatives
... the activity while hydrophilic groups increase it, a proposition supported by experimental results that 4-hydroxytamoxifen (4OHT) is a metabolite more active in terms of RBA than tamoxifen itself ...
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Journal of Applied Pharmaceutical Science
... with structure-based design, aided with computer ...Dimention- Quantitative Structure Activity Relationship (3D-QSAR) are used in drug ...functional activity will help in ...
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A univariate analysis of molecular properties and inhibitory activity of dihydrothiophenones against dihydroorotate dehydrogenase of malaria parasite
... spurs quantitative examination of the relationship between the properties of these compounds and the observed antimalarial ...activity. Quantitative Structure-Activity ...
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“3D QSAR and In Silico Docking Studies of Natural Flavonoid Derivatives as Acetylcholinesterase Inhibitors” by Shravan Kumar Gunda, Suchitra pasula, Venu Gurram, Mahmood Shaik, India.
... three-dimensional quantitative structure activity relationship (3D-QSAR) techniques, were applied to a set of 53 natural flavonoids as Acetylcholinesterase inhibitors (training set 46 ...
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Three-dimensional quantitative structure–activity relationship and docking studies in a series of anthocyanin derivatives as cytochrome P450 3A4 inhibitors
... mutagenic activity of mammalian ...three-dimensional quantitative structure–activity relationship (3D-QSAR) in a series of anthocyanin derivatives as CYP3A4 ...
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QSAR, Molecular Docking and Dynamics Studies of Quinazoline Derivatives as Inhibitor of Phosphatidylinositol 3-Kinase
... Phosphatidylinositol 3-kinase (PI3K) plays a prominent role in regulating various crucial cellular functions. Many studies have indicated the involvement of PI3K in tumorigenesis. In the current study, thirty-one ...
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Drug penetration enhancement via skin in transdermal drug delivery through stratum corneum- QSAR Modeling
... a Quantitative Structure Activity Relationship (QSAR) model for understanding the effect of topological polar surface area, lipo-affinity index, fragment complexity and MLogP on the drug ...
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