Cutting-Edge Hepatitis C Research in ACS Journals - ACS Axial | ACS Publications

Cutting-Edge Hepatitis C Research in ACS Journals

The Nobel Prize in Physiology or Medicine 2020 was awarded to Harvey J. Alter, Michael Houghton, and Charles M. Rice for their discovery of the hepatitis C virus. Their work paved the way for decades of important research, leading to sensitive blood tests for the disease, as well as antiviral drugs that can cure it.

While these breakthroughs have created the possibility of someday eliminating the disease, for now it still presents a major global health risk. Researchers around the world continue to study hepatitis C and look for new and more effective ways of detecting it, stopping its spread, and treating patients who contract it.

In honor of the achievements of this years’ Nobel laureates, ACS Publications presents a collection of recent important hepatitis C research from the Journal of Medicinal Chemistry and ACS Infectious Diseases.

Design of N-Benzoxaborole Benzofuran GSK8175—Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor

J. Med. Chem. 2019, 62, 7, 3254–3267
DOI: 10.1021/acs.jmedchem.8b01719
Discovery of a Potent and Orally Bioavailable Cyclophilin Inhibitor Derived from the Sanglifehrin Macrocycle

J. Med. Chem. 2018, 61, 21, 9473–9499
DOI: 10.1021/acs.jmedchem.8b00802
2′-Chloro,2′-fluoro Ribonucleotide Prodrugs with Potent Pan-genotypic Activity against Hepatitis C Virus Replication in Culture

J. Med. Chem. 2017, 60, 13, 5424–5437
DOI: 10.1021/acs.jmedchem.7b00067
Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants

J. Med. Chem. 2017, 60, 13, 5699–5716
DOI: 10.1021/acs.jmedchem.7b00426
Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies

J. Med. Chem. 2017, 60, 10, 4369–4385
DOI: 10.1021/acs.jmedchem.7b00328
Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A

J. Med. Chem. 2017, 60, 3, 1000–1017
DOI: 10.1021/acs.jmedchem.6b01329
A Potent, Selective, and Orally Bioavailable HCV NS5A Inhibitor for Treatment of Hepatitis C Virus: (S)-1-((R)-2-(Cyclopropanecarboxamido)-2-phenylacetyl)-N-(4-phenylthiazol-2-yl)pyrrolidine-2-carboxamide

J. Med. Chem. 2017, 60, 1, 228–247
DOI: 10.1021/acs.jmedchem.6b00962
Discovery of Ruzasvir (MK-8408): A Potent, Pan-Genotype HCV NS5A Inhibitor with Optimized Activity against Common Resistance-Associated Polymorphisms

J. Med. Chem. 2017, 60, 1, 290–306
DOI: 10.1021/acs.jmedchem.6b01310
Activity-Based Phosphatidylinositol Kinase Probes Detect Changes to Protein–Protein Interactions During Hepatitis C Virus Replication

ACS Infect. Dis. 2018, 4, 5, 752–757
DOI: 10.1021/acsinfecdis.8b00047
Dynamic Interconversions of HCV Helicase Binding Modes on the Nucleic Acid Substrate

ACS Infect. Dis. 2017, 3, 1, 99–109
DOI: 10.1021/acsinfecdis.6b00177
A Refined Model of the HCV NS5A Protein Bound to Daclatasvir Explains Drug-Resistant Mutations and Activity against Divergent Genotypes

J. Chem. Inf. Model. 2015, 55, 2, 362–373
DOI: 10.1021/ci400631n
Detailed Computational Study of the Active Site of the Hepatitis C Viral RNA Polymerase to Aid Novel Drug Design

J. Chem. Inf. Model. 2013, 53, 11, 3031–3043
DOI: 10.1021/ci4003969
Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus

J. Chem. Inf. Model. 2014, 54, 4, 1208–1217
DOI: 10.1021/ci400605a
2D and 3D Quantitative Structure–Activity Relationship Study of Hepatitis C Virus NS5B Polymerase Inhibitors by Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis Methods

J. Chem. Inf. Model. 2014, 54, 10, 2902–2914
DOI: 10.1021/ci500216c
Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis

J. Chem. Inf. Model. 2014, 54, 2, 621–633
DOI: 10.1021/ci400060j
Multiple e-Pharmacophore Modeling, 3D-QSAR, and High-Throughput Virtual Screening of Hepatitis C Virus NS5B Polymerase Inhibitors

J. Chem. Inf. Model. 2014, 54, 2, 539–552
DOI: 10.1021/ci400644r
Accounting for Target Flexibility and Water Molecules by Docking to Ensembles of Target Structures: The HCV NS5B Palm Site I Inhibitors Case Study

J. Chem. Inf. Model. 2014, 54, 2, 481–497
DOI: 10.1021/ci400367m
Design of Novel Rho Kinase Inhibitors Using Energy Based Pharmacophore Modeling, Shape-Based Screening, in Silico Virtual Screening, and Biological Evaluation

J. Chem. Inf. Model. 2014, 54, 10, 2876–2886
DOI: 10.1021/ci5004703

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