quantitative structure–activity relationship (QSAR)
Computational modeling studies on anti HIV 1 non nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach
... in quantitative structure-activity relationship (QSAR) studies, such as multiple linear regression (MLR), [37] partial least squares (PLS), [37] artificial neural networks (ANN) ...a ...
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3D QSAR STUDIES ON THIAZOLIDINONE DERIVATIVES AS POTENTIAL EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS
... The Quantitative Structure Activity Relationship (QSAR) technique belongs to the paradigm of rational drug ...statistical relationship between the properties of amolecule ...
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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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QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES OF SULFADIAZINE SALICYLALDEHYDE SCHIFF BASE AS AN ANTI MYCOBACTERIAL AGENTS
... ABSTRACT: Quantitative structure activity relationship is among the most widely used computational technology for analogue-based drug ...anti-mycobacterial activity from recently ...
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METAPHORICAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (2D & 3D QSAR) ANALYSIS OF TYLOPHORINE DERIVATIVES AS EFFICACIOUS IN ANTIMALARIAL DRUG DESIGN
... 2D QSAR studies revealed that the carbon chains, along with aromatic features substituted with electronegative groups are influential for biological ...antimalarial activity in this series of molecules due ...
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Hyaluronidase Inhibitory Activity of Pentacylic Triterpenoids from Prismatomeris tetrandra (Roxb ) K Schum: Isolation, Synthesis and QSAR Study
... via structure modification of ursolic acid 1 or commercially ...inhibitory activity of these compounds on the hyaluronidase enzyme was ...A quantitative structure activity ...
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Some substrates of P glycoprotein targeting β amyloid clearance by quantitative structure activity relationship (QSAR)/membrane interaction (MI) QSAR analysis
... MDR-reversal activity of compounds is mainly proportional to LogMR ...ATPase activity of these compounds was largely negatively related to LogP ...reversal activity of compounds inversely ...
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Validation of quantitative structure activity relationship (QSAR) model for photosensitizer activity prediction
... the quantitative structure-activity relationship (QSAR) method to develop a model that could correlate the structural features of cyclic tetrapyrrole-based compounds with their ...
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3D QSAR OF N SUBSTITUTED IMIDAZOLES AS ANTIFUNGAL AGENTS
... crystal structure of Candida albican cytochrome P450 dependent 14-α-demethylase (CA-CYP51), the rational design of new antifungals has been carried out using various methods such as homology modeling, [6] ...
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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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Topological and Quantum chemical descriptors based Comparative Quantitative Structure Activity Relationship of benzothiazole derivatives
... Comparative quantitative structure activity relationship study of twenty five benzothiazole derivatives has been ...For QSAR study, the structures of all the above compounds have been ...
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3d qsar and molecular docking studies on anilino pyrimidine and anilino quinazolines as kinase inhibitors
... the intracellular EGFR appear to be the most medicated . These molecules act by binding either reversible or irreversible to the c-terminal tyrosine kinase of EGFR, there by inhibiting auto phosphorylation of the ...
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Quantitative structure activity relationship study of parasubstituted trans and cis tamoxifen derivatives
... As a conclusion, it was possible to develop a new QSAR model for a series of para-substituted trans- and cis-tamoxifen derivatives which has proven to be more robust than the reported one. The new model can be ...
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NFκβ INHIBITION MECHANISM OF DEOXYELEPHANTOPIN AND ISODEOXYELE PHANTOPIN WITH QSAR AND MOLECULAR DOCKING
... Both these in-silico analysis methods (QSAR and Docking) are similar and support each other. QSAR equation predictions indicate sql_1 and sql_2 should strong inhibitory activity against Nfkβ. This ...
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Quantitative structure activity relationship of matrix metalloproteinase inhibitors based on topological descriptors
... predicted activity PAT69 of all the compounds are listed in the ...Fourth QSAR model: The top fourth QSAR model is obtained when multi linear regression analysis is done by taking connectivity index ...
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Application of QSAR Methods on the Study of Bioactive Molecules Derived from Isatin
... of quantitative structure-activity relationship (QSAR) is applied to a set of 47 molecules derived from isatin, in order to predict the anticancer biological activity of the test ...
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Quantitative Structure Activity Relationship Study of Some Antipsychotics by Multiple Linear Regressions
... reasonable QSAR model, PRESS/SSY should be smaller than ...Also, QSAR model 1 shows a high degree of correlation between experimental- ly obtained and predicted parameters of retention, R M (Figure ...
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Quantitative Structure Activity Relationships (QSAR) study and improving it of some schiff base ligands as anticancer for prostate cancer
... biological activity of gave good model with correlation coefficient ...excellent relationship between the experimental d values of C3=N4 STR, C6=N5 STR, ...
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Quantitative structure activity relationship of molecules constituent of different essential oils with antimycobacterial activity against Mycobacterium tuberculosis and Mycobacterium bovis
... antimycobacterial activity was observed for ...antimycobacterial activity; thymol had MIC values of ...antimycobacterial activity of thymol was grouped along with the activity of isoniazid and ...
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The relationship between capital structure and ownership structure
... Street structure Neighborhood Record (1995) analyzed the position enjoyed by substantial private ...the relationship concerning financial framework and institutional ...real relationship regarding ...
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