A. Jakalian

发表

Conformation-based restrictions and scaffold replacements in the design of hepatitis C virus polymerase inhibitors: discovery of deleobuvir (BI 207127).

C. Brochu, S. LaPlante, M. Bös, 2014, Journal of medicinal chemistry.

Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B.

Araz Jakalian, Martin Poirier, C. Brochu, 2010, Journal of the American Chemical Society.

Scaffold hopping in the rational design of novel HIV-1 non-nucleoside reverse transcriptase inhibitors.

P. Bonneau, C. Yoakim, S. LaPlante, 2007, Bioorganic & medicinal chemistry letters.

Development of Specific “Drug‐Like Property” Rules for Carboxylate‐Containing Oral Drug Candidates

O. Hucke, P. Bonneau, A. Böcker, 2010, ChemMedChem.

Unique Thermodynamic Response of Tipranavir to Human Immunodeficiency Virus Type 1 Protease Drug Resistance Mutations

L. M. Amzel, P. Bonneau, L. Amzel, 2007, Journal of Virology.

Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: I. Method

Araz Jakalian, C. Bayly, A. Jakalian, 2000 .

An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis.

P A Kollman, P. Kollman, W. Lim, 2001, Journal of the American Chemical Society.

Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.

Araz Jakalian, Xiang Li, Steven R. LaPlante, 2014, Journal of medicinal chemistry.

Preclinical Profile of BI 224436, a Novel HIV-1 Non-Catalytic-Site Integrase Inhibitor

J. Duan, M. Garneau, P. Bonneau, 2014, Antimicrobial Agents and Chemotherapy.

Thiotetrazole alkynylacetanilides as potent and bioavailable non-nucleoside inhibitors of the HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases.

J. Duan, M. Garneau, P. Bonneau, 2007, Bioorganic & medicinal chemistry letters.

Revealing Atropisomer Axial Chirality in Drug Discovery

O. Hucke, S. LaPlante, A. Jakalian, 2011, ChemMedChem.

Improved replicon cellular activity of non-nucleoside allosteric inhibitors of HCV NS5B polymerase: from benzimidazole to indole scaffolds.

C. Brochu, S. LaPlante, J. Gillard, 2006, Bioorganic & medicinal chemistry letters.

Unique Thermodynamic Response of Tipranavir to Human Immunodeﬁciency Virus Type 1 Protease Drug Resistance Mutations (cid:1)

P. Bonneau, L. Amzel, E. Freire, 2007 .

Minimizing the Contribution of Enterohepatic Recirculation to Clearance in Rat for the NCINI Class of Inhibitors of HIV.

J. Duan, M. Garneau, C. Yoakim, 2014, ACS medicinal chemistry letters.

Binding mode determination of benzimidazole inhibitors of the hepatitis C virus RNA polymerase by a structure and dynamics strategy.

S. LaPlante, J. Gillard, A. Jakalian, 2004, Angewandte Chemie.

N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies.

J. Duan, M. Garneau, C. Brochu, 2010, Bioorganic & medicinal chemistry letters.

Investigation on the role of the tetrazole in the binding of thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases.

P. Bonneau, C. Yoakim, R. Coulombe, 2009, Bioorganic & medicinal chemistry letters.

Cover Picture: Revealing Atropisomer Axial Chirality in Drug Discovery (ChemMedChem 3/2011)

O. Hucke, S. LaPlante, A. Jakalian, 2011 .

Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation

Christopher I. Bayly, Araz Jakalian, David B. Jack, 2002, J. Comput. Chem..

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method

C. Bayly, A. Jakalian, B. Bush, 2000, J. Comput. Chem..

Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.

M. Garneau, S. LaPlante, R. Coulombe, 2013, Bioorganic & medicinal chemistry letters.

Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: discovery of a quinazolinone chemotype.

Araz Jakalian, Martin Poirier, Cédrickx Godbout, 2013, Bioorganic & medicinal chemistry letters.

Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.

Louise Thauvette, Araz Jakalian, M. Bös, 2013, Bioorganic & medicinal chemistry letters.

Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.

Karl A. Merrick, T. O'Brien, A. Jakalian, 2019, Bioorganic & medicinal chemistry letters.

Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.

Araz Jakalian, Sébastien Morin, Yves Bousquet, 2014, ACS medicinal chemistry letters.

Aligning Potency and Pharmacokinetic Properties for Pyridine-Based NCINIs.

J. Duan, M. Garneau, P. Bonneau, 2016, ACS medicinal chemistry letters.

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space

Imran Siddiqi, Marwen Naïm, Sathesh Bhat, 2007, J. Chem. Inf. Model..

Optimization and determination of the absolute configuration of a series of potent inhibitors of human papillomavirus type-11 E1-E2 protein-protein interaction: a combined medicinal chemistry, NMR and computational chemistry approach.

C. Yoakim, A. Jakalian, D. Cameron, 2007, Bioorganic & medicinal chemistry.

Unique Thermodynamic Response of Tipranavir to HIV-1 Protease Drug Resistance Mutations

P. Bonneau, L. Amzel, E. Freire, 2007 .

A simulation of the phase transition in monolayer CO/NaCl(001)

A. Jakalian, D. Jack, N. Vu, 1997 .

The monolayer and multilayer structure of CO2/NaCl(001)

A. Jakalian, D. Jack, M. Saberi, 1997 .

Ligand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 protease.

H. Nar, S. LaPlante, A. Jakalian, 2014, Journal of medicinal chemistry.

Enantiomeric atropisomers inhibit HCV polymerase and/or HIV matrix: characterizing hindered bond rotations and target selectivity.

O. Hucke, S. LaPlante, R. Coulombe, 2014, Journal of medicinal chemistry.

Structure-based design of novel HCV NS 5 B thumb pocket 2 allosteric inhibitors with submicromolar gt 1 replicon potency : Discovery of a

J. Duan, O. Hucke, R. Coulombe, 2013 .