Reaching beyond HIV/HCV: nelfinavir as a potential starting point for broad-spectrum protease inhibitors against dengue and chikungunya virus

Using Hierarchical Virtual Screening To Combat Drug Resistance of the HIV-1 Protease

(2015) Nan Li et al.   Journal of Chemical Information and Modeling

Computer-aided Identification of Novel DprE1 Inhibitors as Potential Anti-TB Lead Compounds: A Hybrid Virtual-screening and Molecular Dynamics Approach

(2015) Yushir Maharaj et al.   Letters in Drug Design & Discovery

A perspective on targeting non-structural proteins to combat neglected tropical diseases: Dengue, West Nile and Chikungunya viruses

(2014) Soumendranath Bhakat et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Mutations in the chikungunya virus non-structural proteins cause resistance to favipiravir (T-705), a broad-spectrum antiviral

(2014) Leen Delang et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Improving Docking Results via Reranking of Ensembles of Ligand Poses in Multiple X-ray Protein Conformations with MM-GBSA

(2014) P. A. Greenidge et al.   Journal of Chemical Information and Modeling

A Computational Approach to Enzyme Design: Predicting ω-Aminotransferase Catalytic Activity Using Docking and MM-GBSA Scoring

(2014) Sarah Sirin et al.   Journal of Chemical Information and Modeling

An integrated molecular dynamics, principal component analysis and residue interaction network approach reveals the impact of M184V mutation on HIV reverse transcriptase resistance to lamivudine

(2014) Soumendranath Bhakat et al.   Molecular BioSystems

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

(2014) Huiyong Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus

(2013) Muslum Yildiz et al.   ACS Chemical Biology

Discovery and SAR studies of methionine–proline anilides as dengue virus NS2B-NS3 protease inhibitors

(2013) Guo-Chun Zhou et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Drug repositioning by structure-based virtual screening

(2013) Dik-Lung Ma et al.   CHEMICAL SOCIETY REVIEWS

Virtual Screening of PRK1 Inhibitors: Ensemble Docking, Rescoring Using Binding Free Energy Calculation and QSAR Model Development

(2013) Inna Slynko et al.   Journal of Chemical Information and Modeling

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

3-Substituted Indole Inhibitors Against Francisella tularensis FabI Identified by Structure-Based Virtual Screening

(2013) Xin Hu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Chikungunya Virus: Emerging Targets and New Opportunities for Medicinal Chemistry

(2013) Adel A. Rashad et al.   JOURNAL OF MEDICINAL CHEMISTRY

Drug Discovery for Neglected Diseases: Molecular Target-Based and Phenotypic Approaches

(2013) Ian H. Gilbert   JOURNAL OF MEDICINAL CHEMISTRY

Thiazolidinone–Peptide Hybrids as Dengue Virus Protease Inhibitors with Antiviral Activity in Cell Culture

(2013) Christoph Nitsche et al.   JOURNAL OF MEDICINAL CHEMISTRY

The global distribution and burden of dengue

(2013) Samir Bhatt et al.   NATURE

Novel therapies for hepatitis C — one pill fits all?

(2013) Michael P. Manns et al.   NATURE REVIEWS DRUG DISCOVERY

Nelfinavir augments proteasome inhibition by bortezomib in myeloma cells and overcomes bortezomib and carfilzomib resistance

(2013) M Kraus et al.   Blood Cancer Journal

In silico drug repositioning – what we need to know

(2012) Zhichao Liu et al.   DRUG DISCOVERY TODAY

Discovery of Novel Small Molecule Inhibitors of Dengue Viral NS2B-NS3 Protease Using Virtual Screening and Scaffold Hopping

(2012) Jing Deng et al.   JOURNAL OF MEDICINAL CHEMISTRY

ZINCPharmer: pharmacophore search of the ZINC database

(2012) D. R. Koes et al.   NUCLEIC ACIDS RESEARCH

In silico repositioning of approved drugs for rare and neglected diseases

(2011) Sean Ekins et al.   DRUG DISCOVERY TODAY

Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach

(2011) Mohamed Diwan M. AbdulHameed et al.   Journal of Chemical Information and Modeling

Ligand-Bound Structures of the Dengue Virus Protease Reveal the Active Conformation

(2011) C. G. Noble et al.   JOURNAL OF VIROLOGY

A Derivate of the Antibiotic Doxorubicin Is a Selective Inhibitor of Dengue and Yellow Fever Virus Replication In Vitro

(2010) S. J. F. Kaptein et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

ViewDock TDW: high-throughput visualization of virtual screening results

(2010) C. D. Lau et al.   BIOINFORMATICS

Review of dengue virus and the development of a vaccine

(2010) Sarah Murrell et al.   BIOTECHNOLOGY ADVANCES

Biology and pathogenesis of chikungunya virus

(2010) Olivier Schwartz et al.   NATURE REVIEWS MICROBIOLOGY

Chikungunya Fever: An Epidemiological Review of a Re‐Emerging Infectious Disease

(2009) J. Erin Staples et al.   CLINICAL INFECTIOUS DISEASES

Inhibition of intracellular hepatitis C virus replication by nelfinavir and synergistic effect with interferon-α

(2009) S. Toma et al.   JOURNAL OF VIRAL HEPATITIS

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Current and Novel Inhibitors of HIV Protease

(2009) Jana Pokorná et al.   Viruses-Basel