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List of works by Evans C. Coutinho

3D-QSAR studies of Dipeptidyl peptidase IV inhibitors using a docking based alignment

scientific article published on 04 August 2007

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

scientific article published on 01 January 2019

A 3D-QSAR of angiotensin II (AT1) receptor antagonists based on receptor surface analysis.

scientific article

A CoMFA study of COX-2 inhibitors with receptor based alignment

scientific article published on 01 December 2004

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

scientific article published on 13 July 2016

A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants

scientific article published on 25 January 2008

Activity and conformation of a cyclic heptapeptide possessing the message sequence His-Phe-Arg-Trp of alpha-melanotropin

scientific article published on 01 June 2002

An antiparallel beta-sheet and a beta-turn characterize the structure of antiviral HIV-1 peptide T140, as revealed by 2D NMR and MD Simulations.

scientific article

Binding of lipoic acid induces conformational change and appearance of a new binding site in methylglyoxal modified serum albumin.

scientific article

Calculation of relative binding free energy difference of DHFR inhibitors by a finite difference thermodynamic integration (FDTI) approach

scientific article published on 01 June 1999

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

scientific article published on April 2016

CoMFA and CoMSIA studies of angiotensin (AT1) receptor antagonists

scientific article published on 02 October 2002

CoMFA study of distamycin analogs binding to the minor-groove of DNA: a unified model for broad-spectrum activity

scientific article published on 10 August 2007

CoRILISA: a local similarity based receptor dependent QSAR method

scientific article published on 12 January 2015

Comparative Occupancy Analysis (CoOAn) - A Straightforward and Directly Applicable 3D-QSAR Formalism to Extract Molecular Features Obligatory for Designing Potent Leads.

scientific article published on 26 June 2012

Comparative protein modeling of methionine S-adenosyltransferase (MAT) enzyme from Mycobacterium tuberculosis: a potential target for antituberculosis drug discovery.

scientific article published in January 2005

Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands

scientific article published on 01 June 2006

Conformation of N-terminal HIV-1 Tat (fragment 1-9) peptide by NMR and MD simulations.

scientific article

Conformational diversity of T-kinin in DMSO, water and HFA.

scientific article

Cycloart-23-ene-3β, 25-diol stimulates GLP-1 (7-36) amide secretion in streptozotocin-nicotinamide induced diabetic Sprague Dawley rats: a mechanistic approach.

scientific article published on 29 October 2012

De novo design of 7-aminocoumarin derivatives as novel falcipain-3 inhibitors

scientific article published on 23 July 2011

Design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de Novo design.

scientific article

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

scientific article

Design, synthesis and biological evaluation of some 2-azetidinone derivatives as potential antihyperlipidemic agents

scientific article published on 20 October 2013

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

scientific article published on 14 June 2015

Design, synthesis, structural characterization by IR, (1) H, (13) C, (15) N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors.

scientific article published on 11 April 2013

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

scientific article published on 19 July 2017

Docking study of novel antihyperlipidemic thieno[2,3-d]pyrimidine; LM-1554, with some molecular targets related to hyperlipidemia - an investigation into its mechanism of action.

scientific article published on 24 October 2014

Drug-DNA Interaction Studies of Acridone-Based Derivatives

scientific article published on 01 January 2015

Ensemble QSAR: a QSAR method based on conformational ensembles and metric descriptors

scientific article published on 21 April 2011

Evaluation of risedronate as an antibiofilm agent.

scientific article published on 23 October 2015

Exploring the binding of HIV-1 integrase inhibitors by comparative residue interaction analysis (CoRIA).

scientific article

Furo-fused BINOL based crown as a fluorescent chiral sensor for enantioselective recognition of phenylethylamine and ethyl ester of valine

scientific article published on 20 June 2007

HomoSAR: bridging comparative protein modeling with quantitative structural activity relationship to design new peptides.

scientific article published on 18 September 2013

How good are ensembles in improving QSAR models? The case with eCoRIA.

scientific article published on 22 April 2014

In silico optimization of pharmacokinetic properties and receptor binding affinity simultaneously: a 'parallel progression approach to drug design' applied to β-blockers

scientific article published on 9 April 2015

Interaction of artesunate with β-cyclodextrin: Characterization, thermodynamic parameters, molecular modeling, effect of PEG on complexation and antimalarial activity.

scientific article published on May 2011

Local indices for similarity analysis (LISA)-a 3D-QSAR formalism based on local molecular similarity.

scientific article published in December 2009

Mechanism of action of L-arginine on the vitality of spermatozoa is primarily through increased biosynthesis of nitric oxide.

scientific article published on 25 January 2006

Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors.

scientific article published on 13 January 2010

Molecular modeling studies, synthesis, and biological evaluation of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR) inhibitors.

scientific article

NMR and molecular dynamics studies of tachykinins: conformation of substance P fragment 4-11

scientific article published on 01 December 1998

Novel thermoresponsive assemblies of co-grafted natural and synthetic polymers for water purification

scientific article published in March 2017

Over-expression, purification and isotopic labeling of a tag-less human glucose-dependent insulinotropic polypeptide (hGIP).

scientific article published on 31 October 2013

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

scientific article published on 20 November 2017

Probing molecular level interaction of oseltamivir with H5N1-NA and model membranes by molecular docking, multinuclear NMR and DSC methods.

scientific article

Quantifying ligand-receptor interactions for gorge-spanning acetylcholinesterase inhibitors for the treatment of Alzheimer's disease.

scientific article

Screening for in vitro antimycobacterial activity and three-dimensional quantitative structure-activity relationship (3D-QSAR) study of 4-(arylamino)coumarin derivatives.

scientific article

Search for novel neuraminidase inhibitors: Design, synthesis and interaction of oseltamivir derivatives with model membrane using docking, NMR and DSC methods.

scientific article published on 4 May 2009

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

scientific article published on 28 September 2016

Stationary Points on the PES of N-Methoxy Peptides and Their Boron Isosteres:  An Ab Initio Study

scientific article published on 01 November 2006

Substance P: structure, function, and therapeutics

scientific article (publication date: 2004)

Sulfobutyl ether(7) β-cyclodextrin (SBE(7) β-CD) carbamazepine complex: preparation, characterization, molecular modeling, and evaluation of in vivo anti-epileptic activity.

scientific article

Synthesis and 3D-QSAR analysis of 2-chloroquinoline derivatives as H37 RV MTB inhibitors.

scientific article published on December 2013

Synthesis and 3D-QSAR study of 1,4-dihydropyridine derivatives as MDR cancer reverters

scientific article published on 16 January 2014

Synthesis of 1-(2,6-dichlorophenyl)-3-methylene-1,3-dihydro-indol-2-one derivatives and in vitro anticancer evaluation against SW620 colon cancer cell line

scientific article

Synthesis, anti-tubercular activity and 3D-QSAR study of coumarin-4-acetic acid benzylidene hydrazides.

scientific article published on 29 January 2008

Synthesis, anti-tuberculosis activity and 3D-QSAR study of amino acid conjugates of 4-(adamantan-1-yl) group containing quinolines

scientific article published on 11 October 2008

Synthesis, anti-tuberculosis activity, and 3D-QSAR study of 4-(adamantan-1-yl)-2-substituted quinolines

scientific article published on 01 November 2006

Synthesis, anti-tuberculosis activity, and 3D-QSAR study of ring-substituted-2/4-quinolinecarbaldehyde derivatives

scientific article published on 14 July 2006

Synthesis, antitubercular evaluation and 3D-QSAR study of N-phenyl-3-(4-fluorophenyl)-4-substituted pyrazole derivatives.

scientific article published on 30 October 2011

Synthesis, in vitro antitubercular activity and 3D-QSAR study of 1,4-dihydropyridines

scientific article published on 24 June 2009

Targeting dormant tuberculosis bacilli: results for molecules with a novel pyrimidone scaffold

scientific article published on 12 July 2014

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

scientific article published on 30 September 2013

The B(OH)-NH Analog Is a Surrogate for the Amide Bond (CO-NH) in Peptides:  An ab Initio Study

scientific article published on 01 March 2007

The amino-terminal domain of human signal transducers and activators of transcription 1: overexpression, purification and characterization

scientific article

The ω, φ, and ψ Space of N-Hydroxy-N-methylacetamide and N-Acetyl-N '-hydroxy-N '-methylamide of Alanine and Their Boron Isosteres

scientific article published on 01 March 2006

Understanding interactions of gastric inhibitory polypeptide (GIP) with its G-protein coupled receptor through NMR and molecular modeling

scientific article published on 01 May 2007

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

scientific article published on 24 December 2013

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