Targeting the NTPase site of Zika virus NS3 helicase for inhibitor discovery

Computational identification and antifungal bioassay reveals phytosterols as potential inhibitor of Alternaria arborescens

(2019) Prassan Choudhary et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

The A–Z of Zika drug discovery

(2018) Melina Mottin et al.   DRUG DISCOVERY TODAY

Mechanism of ATP hydrolysis by the Zika virus helicase

(2018) Xiaoyun Yang et al.   FASEB JOURNAL

Molecular Recognition Features in Zika Virus Proteome

(2018) Pushpendra Mani Mishra et al.   JOURNAL OF MOLECULAR BIOLOGY

Allostery in the dengue virus NS3 helicase: Insights into the NTPase cycle from molecular simulations

(2018) Russell B. Davidson et al.   PLoS Computational Biology

Structural insights into the binding mode of flavonols with the active site of matrix metalloproteinase-9 through molecular docking and molecular dynamic simulations studies

(2017) Dhinakararajan Pradiba et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Delving into Zika virus structural dynamics – a closer look at NS3 helicase loop flexibility and its role in drug discovery

(2017) Pritika Ramharack et al.   RSC Advances

Defining the syndrome associated with congenital Zika virus infection

(2016) Anthony Costello et al.   BULLETIN OF THE WORLD HEALTH ORGANIZATION

Zika virus: history of a newly emerging arbovirus

(2016) Nitwara Wikan et al.   LANCET INFECTIOUS DISEASES

Zika and microcephaly: causation, correlation, or coincidence?

(2016) Jason A. Tetro   MICROBES AND INFECTION

Identification of small-molecule inhibitors of Zika virus infection and induced neural cell death via a drug repurposing screen

(2016) Miao Xu et al.   NATURE MEDICINE

Structure of the NS3 helicase from Zika virus

(2016) Rinku Jain et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Antiviral activity of luteolin against Japanese encephalitis virus

(2016) Wenchun Fan et al.   VIRUS RESEARCH

Structure of the NS3 helicase from Zika virus

(2016) Rinku Jain et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Zika crisis in Brazil: challenges in research and development

(2016) Lucas Secchim Ribeiro et al.   Current Opinion in Virology

Structural basis of Zika virus helicase in recognizing its substrates

(2016) Hongliang Tian et al.   Protein & Cell

Intrinsically Disordered Side of the Zika Virus Proteome

(2016) Rajanish Giri et al.   Frontiers in Cellular and Infection Microbiology

Adenosine Analog NITD008 Is a Potent Inhibitor of Zika Virus

(2016) Yong-Qiang Deng et al.   Open Forum Infectious Diseases

The Flavonoid Isoliquiritigenin Reduces Lung Inflammation and Mouse Morbidity during Influenza Virus Infection

(2015) Hussein Traboulsi et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Naturally Occurring Arbutin Derivatives and Their Bioactivities

(2015) Wen-Hui Xu et al.   CHEMISTRY & BIODIVERSITY

Targeting intrinsically disordered proteins in rational drug discovery

(2015) Susmitha Ambadipudi et al.   Expert Opinion on Drug Discovery

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

Rapid spread of emerging Zika virus in the Pacific area

(2014) D. Musso et al.   CLINICAL MICROBIOLOGY AND INFECTION

Assessment of dual inhibition property of newly discovered inhibitors against PCAF and GCN5 throughin silicoscreening, molecular dynamics simulation and DFT approach

(2014) Venkatesan Suryanarayanan et al.   JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

Glyphosate as a tool to produce shikimic acid in plants

(2014) M.B. Matallo et al.   Planta Daninha

Anti-HIV-1 Activity of Flavonoid Myricetin on HIV-1 Infection in a Dual-Chamber In Vitro Model

(2014) Silvana Pasetto et al.   PLoS One

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Antiviral effects of the constituents derived from Chinese herb medicines on infectious bursal disease virus

(2013) Yaogui Sun et al.   PHARMACEUTICAL BIOLOGY

Antiviral Activity of Baicalein and Quercetin against the Japanese Encephalitis Virus

(2012) Jefree Johari et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A Short Overview on the Medicinal Chemistry of (—)-Shikimic Acid

(2012) Amalia M. Estevez et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Anti- Japanese-Encephalitis-Viral Effects of Kaempferol and Daidzin and Their RNA-Binding Characteristics

(2012) Ting Zhang et al.   PLoS One

Hepatitis C Virus and Natural Compounds: A New Antiviral Approach?

(2012) Noémie Calland et al.   Viruses-Basel

In silico repositioning of approved drugs for rare and neglected diseases

(2011) Sean Ekins et al.   DRUG DISCOVERY TODAY

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Antiviral activity of four types of bioflavonoid against dengue virus type-2

(2011) Keivan Zandi et al.   Virology Journal

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

(2010) Jeremy R. Greenwood et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Antiviral activity of geneticin against dengue virus

(2009) Xianchao G. Zhang et al.   ANTIVIRAL RESEARCH

Phenolic profiles, antioxidant activity and in vitro antiviral properties of apple pomace

(2009) Belén Suárez et al.   FOOD CHEMISTRY

Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA

(2009) Giulio Rastelli et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Antiviral effects of silymarin against hepatitis C: The jury is still out

(2008) Stephen J. Polyak et al.   HEPATOLOGY

In VitroEvaluation of the Antiviral Activity of an Extract of Date Palm (Phoenix dactyliferaL.) Pits on aPseudomonasPhage

(2007) Sabah A. A. Jassim et al.   Evidence-based Complementary and Alternative Medicine