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Nitric oxide: state of the art in drug design

Current medicinal chemistry, 2012, Vol.19 (3), p.386-405

2012

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New tuberculostatic agents targeting nucleic acid biosynthesis: drug design using QSAR approaches

Current pharmaceutical design, 2014-01, Vol.20 (27), p.4474-4485

2014

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Identification, In Vitro Testing and Molecular Docking Studies of Microginins' Mechanism of Angiotensin-Converting Enzyme Inhibition

Molecules (Basel, Switzerland), 2017-12, Vol.22 (12), p.1884

2017

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Complementary Quantitative Structure⁻Activity Relationship Models for the Antitrypanosomal Activity of Sesquiterpene Lactones

International journal of molecular sciences, 2018-11, Vol.19 (12), p.3721

2018

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Hologram QSAR studies of antiprotozoal activities of sesquiterpene lactones

Molecules (Basel, Switzerland), 2014-07, Vol.19 (7), p.10546-10562

2014

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Antibodies Against the Plasmodium vivax Apical Membrane Antigen 1 From the Belem Strain Share Common Epitopes Among Other Worldwide Variants

Frontiers in cellular and infection microbiology, 2021-03, Vol.11, p.616230-616230

2021

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Design and synthesis of new (E)-cinnamic N-acylhydrazones as potent antitrypanosomal agents

European journal of medicinal chemistry, 2012-08, Vol.54, p.512-521

2012

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Enantioselective Arylations Catalyzed by Carbohydrate-Based Chiral Amino Alcohols

European Journal of Organic Chemistry, 2010-04, Vol.2010 (12), p.2351-2356

2010

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The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2017-12, Vol.13 (8), p.706

2017

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Insights on 3D Structures of Potential Drug‐targeting Proteins of SARS‐CoV‐2: Application of Cavity Search and Molecular Docking

Molecular informatics, 2021-02, Vol.40 (2), p.e2000096-n/a

2021

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Indole-3-glyoxyl tyrosine: synthesis and antimalarial activity against Plasmodium falciparum

Future medicinal chemistry, 2019-03, Vol.11 (6), p.525-538

2019

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Understanding PPAR-δ affinity and selectivity using hologram quantitative structure-activity modeling, molecular docking and GRID calculations

Future medicinal chemistry, 2016-10, Vol.8 (16), p.1913-1926

2016

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Hologram quantitative structure-activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors

Future medicinal chemistry, 2015-01, Vol.7 (11), p.1381-1394

2015

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β-amino alcohols and their respective 2-phenyl-N-alkyl aziridines as potential DNA minor groove binders

European journal of medicinal chemistry, 2018-09, Vol.157, p.657-664

2018

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GQ-11: A new PPAR agonist improves obesity-induced metabolic alterations in LDLr−/− mice

International Journal of Obesity, 2018-06, Vol.42 (5), p.1062-1072

2018

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Quantitative structure-activity relationships (HQSAR, CoMFA, and CoMSIA) studies for COX-2 selective inhibitors

Journal of biomolecular structure & dynamics, 2017-05, Vol.35 (7), p.1436-1445

2017

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Benchmark studies of UV–vis spectra simulation for cinnamates with UV filter profile

Journal of molecular modeling, 2015-06, Vol.21 (6), p.150-150, Article 150

2015

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Application of bioisosterism in design of the semicarbazone derivatives as cruzain inhibitors: a theoretical and experimental study

Journal of biomolecular structure & dynamics, 2017-04, Vol.35 (6), p.1244-1259

2017

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Electrochemical and Theoretical Studies on the Artesunate Reduction

Orbital : The Electronic Journal of Chemistry, 2020-07, Vol.12 (3), p.108

2020

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Design, synthesis and biological evaluation of new aryl thiosemicarbazone as antichagasic candidates

European journal of medicinal chemistry, 2013-09, Vol.67, p.142-151

2013

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Toward chelerythrine optimization: Analogues designed by molecular simplification exhibit selective growth inhibition in non-small-cell lung cancer cells

Bioorganic & medicinal chemistry, 2016-10, Vol.24 (19), p.4600-4610

2016

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Theoretical study of tautomers and photoisomers of avobenzone by DFT methods

Journal of molecular modeling, 2015-12, Vol.21 (12), p.319-319, Article 319

2015

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Synthesis, leishmanicidal activity, structural descriptors and structure-activity relationship of quinoline derivatives

Future medicinal chemistry, 2018-09, Vol.10 (17), p.2069-2085

2018

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In silico studies on the interaction between bioactive ligands and ALK5, a biological target related to the cancer treatment

Journal of biomolecular structure & dynamics, 2016-09, Vol.34 (9), p.2045-2053

2016

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The survey of the use of QSAR methods to determine intestinal absorption and oral bioavailability during drug design

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2014-01, Vol.10 (5), p.441-448

2014

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Nitric oxide: state of the art in drug design

New tuberculostatic agents targeting nucleic acid biosynthesis: drug design using QSAR approaches

Identification, In Vitro Testing and Molecular Docking Studies of Microginins' Mechanism of Angiotensin-Converting Enzyme Inhibition

Complementary Quantitative Structure⁻Activity Relationship Models for the Antitrypanosomal Activity of Sesquiterpene Lactones

Hologram QSAR studies of antiprotozoal activities of sesquiterpene lactones

Antibodies Against the Plasmodium vivax Apical Membrane Antigen 1 From the Belem Strain Share Common Epitopes Among Other Worldwide Variants

Design and synthesis of new (E)-cinnamic N-acylhydrazones as potent antitrypanosomal agents

Enantioselective Arylations Catalyzed by Carbohydrate-Based Chiral Amino Alcohols

The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery

Insights on 3D Structures of Potential Drug‐targeting Proteins of SARS‐CoV‐2: Application of Cavity Search and Molecular Docking

Indole-3-glyoxyl tyrosine: synthesis and antimalarial activity against Plasmodium falciparum

Understanding PPAR-δ affinity and selectivity using hologram quantitative structure-activity modeling, molecular docking and GRID calculations

Hologram quantitative structure-activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors

β-amino alcohols and their respective 2-phenyl-N-alkyl aziridines as potential DNA minor groove binders

GQ-11: A new PPAR agonist improves obesity-induced metabolic alterations in LDLr−/− mice

Quantitative structure-activity relationships (HQSAR, CoMFA, and CoMSIA) studies for COX-2 selective inhibitors

Benchmark studies of UV–vis spectra simulation for cinnamates with UV filter profile

Application of bioisosterism in design of the semicarbazone derivatives as cruzain inhibitors: a theoretical and experimental study

Electrochemical and Theoretical Studies on the Artesunate Reduction

Design, synthesis and biological evaluation of new aryl thiosemicarbazone as antichagasic candidates

Toward chelerythrine optimization: Analogues designed by molecular simplification exhibit selective growth inhibition in non-small-cell lung cancer cells

Theoretical study of tautomers and photoisomers of avobenzone by DFT methods

Synthesis, leishmanicidal activity, structural descriptors and structure-activity relationship of quinoline derivatives

In silico studies on the interaction between bioactive ligands and ALK5, a biological target related to the cancer treatment

The survey of the use of QSAR methods to determine intestinal absorption and oral bioavailability during drug design

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