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3D-QSAR in drug design--a review

Current topics in medicinal chemistry, 2010, Vol.10 (1), p.95-115

2010

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Novel p-Functionalized Chromen-4-on-3-yl Chalcones Bearing Astonishing Boronic Acid Moiety as MDM2 Inhibitor: Synthesis, Cytotoxic Evaluation and Simulation Studies

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2020-01, Vol.16 (2), p.212-228

2020

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Amalgamation of comparative protein modeling with quantitative structure-retention relationship for prediction of the chromatographic behavior of peptides

Journal of Chromatography A, 2022-04, Vol.1669, p.462967, Article 462967

2022

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4-Hydroxy-2-pyridone Derivatives and the δ-pyrone Isostere as Novel Agents Against Mycobacterium smegmatis Biofilm Inhibitors

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2019-01, Vol.15 (1), p.28-37

2019

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Preferential Formulation of Second Generation Antipsychotic Asenapine as Inclusion Complex with Sulphobutylether-βCD (Captisol): In vitro and In vivo Evaluation

Current drug delivery, 2018-01, Vol.15 (4), p.520-531

2018

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Oral l-glutamine increases active GLP-1 (7-36) amide secretion and improves glycemic control in stretpozotocin–nicotinamide induced diabetic rats

Chemico-biological interactions, 2013-04, Vol.203 (2), p.530-541

2013

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New horizons in antimalarial drug discovery in the last decade by chemoinformatic approaches

Combinatorial chemistry & high throughput screening, 2015-01, Vol.18 (2), p.129-150

2015

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A Computational Model for Docking of Noncompetitive Neuraminidase Inhibitors and Probing their Binding Interactions with Neuraminidase of Influenza Virus H5N1

Current computer-aided drug design, 2016-12, Vol.12 (4), p.272-281

2016

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Characterization of pioglitazone cyclodextrin complexes: Molecular modeling to in vivo evaluation

Journal of pharmacy & bioallied science, 2016-04, Vol.8 (2), p.161-169

2016

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A‐kinase anchoring proteins are enriched in the central pair microtubules of motile cilia in Chlamydomonas reinhardtii

FEBS letters, 2024-02, Vol.598 (4), p.457-476

2024

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Design, synthesis and evaluation of benzotriazole derivatives as novel antifungal agents

Bioorganic & medicinal chemistry letters, 2015-09, Vol.25 (17), p.3730-3737

2015

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Soluble curcumin amalgamated chitosan microspheres augmented drug delivery and cytotoxicity in colon cancer cells: In vitro and in vivo study

Colloids and surfaces, B, Biointerfaces, 2016-12, Vol.148, p.674-683

2016

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Flexibility of Important HIV-1 Targets and in silico Design of anti- HIV Drugs

Current chemical biology, 2018, Vol.12 (1), p.23-39

2018

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Identification of potential antileishmanial 1,3-disubstituted-4-hydroxy-6-methylpyridin-2(1H)-ones, in vitro metabolic stability, cytotoxicity and molecular modeling studies

Chemico-biological interactions, 2022-01, Vol.351, p.109758-109758, Article 109758

2022

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Discovery of new leads against Mycobacterium tuberculosis using scaffold hopping and shape based similarity

Bioorganic & medicinal chemistry, 2017-09, Vol.25 (17), p.4835-4844

2017

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CoRILISA: A Local Similarity Based Receptor Dependent QSAR Method

Journal of chemical information and modeling, 2015-01, Vol.55 (1), p.194-205

2015

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Design, synthesis and SAR of antitubercular benzylpiperazine ureas

Molecular diversity, 2022-02, Vol.26 (1), p.73-96

2022

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Valsartan inclusion by methyl-β-cyclodextrin: Thermodynamics, molecular modelling, Tween 80 effect and evaluation

Carbohydrate polymers, 2014-03, Vol.103, p.300-309

2014

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Pharmacophore modeling in drug discovery and development: an overview

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2007-03, Vol.3 (2), p.187-197

2007

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Telmisartan complex augments solubility, dissolution and drug delivery in prostate cancer cells

Carbohydrate polymers, 2014-01, Vol.101, p.614-622

2014

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An Activity Model for Novel Antidepressants that Interact with the Serotonin Transporter (SERT)

Central nervous system agents in medicinal chemistry, 2011-09, Vol.11 (3), p.228-237

2011

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Design, synthesis & evaluation of condensed 2H-4-arylaminopyrimidines as novel antifungal agents

European journal of medicinal chemistry, 2014-04, Vol.77, p.166-175

2014

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Prediction of QcrB Inhibition as a Measure of Antitubercular Activity with Machine Learning Protocols

ACS omega, 2022-05, Vol.7 (21), p.18094-18102

2022

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Synthesis, screening for antitubercular activity and 3D-QSAR studies of substituted N-phenyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxamides

European journal of medicinal chemistry, 2008-10, Vol.43 (10), p.2103-2115

2008

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Mapping activity elements of protegrin antimicrobial peptides by HomoSAR

RSC advances, 2015-09, Vol.5 (96), p.78790-78798

2015

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3D-QSAR in drug design--a review

Novel p-Functionalized Chromen-4-on-3-yl Chalcones Bearing Astonishing Boronic Acid Moiety as MDM2 Inhibitor: Synthesis, Cytotoxic Evaluation and Simulation Studies

Amalgamation of comparative protein modeling with quantitative structure-retention relationship for prediction of the chromatographic behavior of peptides

4-Hydroxy-2-pyridone Derivatives and the δ-pyrone Isostere as Novel Agents Against Mycobacterium smegmatis Biofilm Inhibitors

Preferential Formulation of Second Generation Antipsychotic Asenapine as Inclusion Complex with Sulphobutylether-βCD (Captisol): In vitro and In vivo Evaluation

Oral l-glutamine increases active GLP-1 (7-36) amide secretion and improves glycemic control in stretpozotocin–nicotinamide induced diabetic rats

New horizons in antimalarial drug discovery in the last decade by chemoinformatic approaches

A Computational Model for Docking of Noncompetitive Neuraminidase Inhibitors and Probing their Binding Interactions with Neuraminidase of Influenza Virus H5N1

Characterization of pioglitazone cyclodextrin complexes: Molecular modeling to in vivo evaluation

A‐kinase anchoring proteins are enriched in the central pair microtubules of motile cilia in Chlamydomonas reinhardtii

Design, synthesis and evaluation of benzotriazole derivatives as novel antifungal agents

Soluble curcumin amalgamated chitosan microspheres augmented drug delivery and cytotoxicity in colon cancer cells: In vitro and in vivo study

Flexibility of Important HIV-1 Targets and in silico Design of anti- HIV Drugs

Identification of potential antileishmanial 1,3-disubstituted-4-hydroxy-6-methylpyridin-2(1H)-ones, in vitro metabolic stability, cytotoxicity and molecular modeling studies

Discovery of new leads against Mycobacterium tuberculosis using scaffold hopping and shape based similarity

CoRILISA: A Local Similarity Based Receptor Dependent QSAR Method

Design, synthesis and SAR of antitubercular benzylpiperazine ureas

Valsartan inclusion by methyl-β-cyclodextrin: Thermodynamics, molecular modelling, Tween 80 effect and evaluation

Pharmacophore modeling in drug discovery and development: an overview

Telmisartan complex augments solubility, dissolution and drug delivery in prostate cancer cells

An Activity Model for Novel Antidepressants that Interact with the Serotonin Transporter (SERT)

Design, synthesis & evaluation of condensed 2H-4-arylaminopyrimidines as novel antifungal agents

Prediction of QcrB Inhibition as a Measure of Antitubercular Activity with Machine Learning Protocols

Synthesis, screening for antitubercular activity and 3D-QSAR studies of substituted N-phenyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxamides

Mapping activity elements of protegrin antimicrobial peptides by HomoSAR

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