Results 11 to 20 of about 17,150 (158)
Drug Design and Discovery: The Long Road From Hansch Analysis to Artificial Intelligence. [PDF]
ChemMedChemThe evolution of quantitative structure–activity relationships (QSAR) is traced from the pioneering work of Hansch to its contemporary applications in drug discovery. Key developments in multidimensional QSAR, multivariate statistical analysis and machine learning, model validation, and multi‐objective optimization are discussed.
Tsantili-Kakoulidou A.
europepmc +2 more sources
QSAR studies on anti-apoptotic Bcl-2 protein inhibitors
Journal of Saudi Chemical Society, 2009 QSAR studies on a series of inhibitors for anti-apoptotic Bcl-2 proteins based on BHI-1 were performed the activities are found to correlate well with some topological parameters and steric parameters. The results are critically discussed on the basis of
A.K. Srivastava +4 more
doaj +1 more source
QSAR based modeling of inhibitory activity of alkenyldiarylmethane derivatives
Journal of Saudi Chemical Society, 2009 A series of alkenyldiarylmethanes (ADAMs) were subjected to QSAR analysis by using linear free energy relationship model of Hansch. QSAR has been developed using steric, electronic and topological parameters along with appropriate dummy variable ...
A.K. Srivastava +3 more
doaj +1 more source
Journal of Saudi Chemical Society, 2010 G-protein coupled receptors like Bradykinin (BK) B1 represent a potential treatment route for chronic pain and inflammation. Quantitative structure activity relationship has been performed on a series of α-hydroxy amides as a novel class of bradykinin B1
A.K. Srivastava +3 more
doaj +1 more source
Substitued (E)-β-(benzoyl)acrylic acids suppressed survival of neoplastic human hela cells [PDF]
Journal of the Serbian Chemical Society, 1999 The bacteriostatic activity of some of alkyl substituted (E)-β-(benzoyl)acrylic acids was shown earlier. The aim of this study was to investigate the antiproliferative action of 19 alkyl-, or halogeno-, or methoxy-, or acetamido-substituted (E ...
Juranić Z. +5 more
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Journal of Saudi Chemical Society, 2010 Quantitative structure activity relationship (QSAR) studies on a series of 8-methoxy quinolone are found to correlate well with steric parameters and electronic parameter.
A.K. Srivastava +3 more
doaj +1 more source
Dehydroacetic Acid-Phenylhydrazone as a Potential Inhibitor for Wild-Type HIV-1 Protease: Structural, DFT, Molecular Dynamics, 3D QSAR and ADMET Characteristics [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2021 Despite several studies towards anti-HIV therapy, HIV infections remain a challenge due to the resistivity of developed drugs. The emergence of new HIV-1 PR mutations has led to the drug resistance of the available FDA-approved drugs and lower activity ...
Collins Ugochukwu Ibeji +7 more
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QSAR based modeling of hepatitis C virus NS5B inhibitors
Journal of Saudi Chemical Society, 2010 QSAR analysis on a series of 13 derivatives of 5-hydroxy-3-(2H)-pyridazinone as hepatitis C virus NS5B polymerase inhibitors was performed. The inhibitory activities of these compounds were found to increase with density (D), index of refractivity (Ior),
A.K. Srivastava +3 more
doaj +1 more source
Journal of Saudi Chemical Society, 2011 QSAR studies were performed on a series of imidazole derivatives as novel Orl1 receptor antagonists. Imidazole derivatives have been analyzed in relation to their physicochemical and molecular properties.
A.K. Srivastava, Neerja Shukla
doaj +1 more source
Clean Technologies, 2020 Pharmaceuticals in waters represent a worldwide problem of today. Advanced oxidation processes (AOPs) are being researched for elimination of the ecological hazard.
Melanie Voigt +6 more
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