Computational modeling of the bat HKU4 coronavirus 3CLpro inhibitors as a tool for the development of antivirals against the emerging Middle East respiratory syndrome (MERS) coronavirus

Ligand-based modeling of diverse aryalkylamines yields new potent P-glycoprotein inhibitors

(2016) Dana A. AlQudah et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Computer-aided discovery of new FGFR-1 inhibitors followed by in vitro validation

(2016) Shada J Alabed et al.   Future Medicinal Chemistry

Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design

(2016) Fenghua Wang et al.   Scientific Reports

Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4—The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS)

(2015) Sarah E. St. John et al.   BIOORGANIC & MEDICINAL CHEMISTRY

QSAR studies in the discovery of novel type-II diabetic therapies

(2015) Areej Abuhammad et al.   Expert Opinion on Drug Discovery

Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro)

(2015) Sakshi Tomar et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Bat-to-human: spike features determining ‘host jump’ of coronaviruses SARS-CoV, MERS-CoV, and beyond

(2015) Guangwen Lu et al.   TRENDS IN MICROBIOLOGY

Bats as reservoirs of severe emerging infectious diseases

(2015) Hui-Ju Han et al.   VIRUS RESEARCH

Potential Broad Spectrum Inhibitors of the Coronavirus 3CLpro: A Virtual Screening and Structure-Based Drug Design Study

(2015) Michael Berry et al.   Viruses-Basel

Screening-Based Translation of Public Research Encounters Painful Problems

(2015) Jonathan B. Baell   ACS Medicinal Chemistry Letters

Screening of an FDA-Approved Compound Library Identifies Four Small-Molecule Inhibitors of Middle East Respiratory Syndrome Coronavirus Replication in Cell Culture

(2014) Adriaan H. de Wilde et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Evaluation of SSYA10-001 as a Replication Inhibitor of Severe Acute Respiratory Syndrome, Mouse Hepatitis, and Middle East Respiratory Syndrome Coronaviruses

(2014) Adeyemi O. Adedeji et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Repurposing of Clinically Developed Drugs for Treatment of Middle East Respiratory Syndrome Coronavirus Infection

(2014) Julie Dyall et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Yeast-based assays for the high-throughput screening of inhibitors of coronavirus RNA cap guanine-N7-methyltransferase

(2014) Ying Sun et al.   ANTIVIRAL RESEARCH

Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features

(2014) Jian Lei et al.   ANTIVIRAL RESEARCH

Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26

(2014) Qihui Wang et al.   Cell Host & Microbe

Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3Kγ) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis

(2014) Mutasem O. Taha et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Middle East respiratory syndrome coronavirus (MERS-CoV) in dromedary camels, Oman, 2013

(2014) N Nowotny et al.   Eurosurveillance

Current advancements and potential strategies in the development of MERS-CoV vaccines

(2014) Naru Zhang et al.   Expert Review of Vaccines

X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases

(2014) Yahira M. Báez-Santos et al.   JOURNAL OF MEDICINAL CHEMISTRY

Coronaviruses: Important Emerging Human Pathogens

(2014) C. M. Coleman et al.   JOURNAL OF VIROLOGY

Evidence for Camel-to-Human Transmission of MERS Coronavirus

(2014) Esam I. Azhar et al.   NEW ENGLAND JOURNAL OF MEDICINE

Receptor usage and cell entry of bat coronavirus HKU4 provide insight into bat-to-human transmission of MERS coronavirus

(2014) Y. Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Mouse Model for Betacoronavirus Subgroup 2c Using a Bat Coronavirus Strain HKU5 Variant

(2014) S. Agnihothram et al.   mBio

From SARS to MERS: 10 years of research on highly pathogenic human coronaviruses

(2013) Rolf Hilgenfeld et al.   ANTIVIRAL RESEARCH

Cell-based antiviral screening against coronaviruses: Developing virus-specific and broad-spectrum inhibitors

(2013) Andy Kilianski et al.   ANTIVIRAL RESEARCH

Drug repurposing: a better approach for infectious disease drug discovery?

(2013) G Lynn Law et al.   CURRENT OPINION IN IMMUNOLOGY

Middle East Respiratory Syndrome coronavirus (MERS-CoV) serology in major livestock species in an affected region in Jordan, June to September 2013

(2013) C Reusken et al.   Eurosurveillance

Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors

(2013) Sawsan Abuhamdah et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A Truncated Receptor-Binding Domain of MERS-CoV Spike Protein Potently Inhibits MERS-CoV Infection and Induces Strong Neutralizing Antibody Responses: Implication for Developing Therapeutics and Vaccines

(2013) Lanying Du et al.   PLoS One

A safe and convenient pseudovirus-based inhibition assay to detect neutralizing antibodies and screen for viral entry inhibitors against the novel human coronavirus MERS-CoV

(2013) Guangyu Zhao et al.   Virology Journal

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

(2012) Christopher A. Lipinski et al.   ADVANCED DRUG DELIVERY REVIEWS

Application of docking-based comparative intermolecular contacts analysis to validate Hsp90α docking studies and subsequent in silico screening for inhibitors

(2012) Mahmoud A. Al-Sha’er et al.   JOURNAL OF MOLECULAR MODELING

New approaches for dissecting protease functions to improve probe development and drug discovery

(2012) Edgar Deu et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Isolation of a Novel Coronavirus from a Man with Pneumonia in Saudi Arabia

(2012) Ali M. Zaki et al.   NEW ENGLAND JOURNAL OF MEDICINE

Docking-Based Comparative Intermolecular Contacts Analysis as New 3-D QSAR Concept for Validating Docking Studies and in Silico Screening: NMT and GP Inhibitors as Case Studies

(2011) Mutasem O. Taha et al.   Journal of Chemical Information and Modeling

Discovery of new renin inhibitory leads via sequential pharmacophore modeling, QSAR analysis, in silico screening and in vitro evaluation

(2011) Afaf H. Al-Nadaf et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent β-secretase inhibitory leads

(2010) Afaf Al-Nadaf et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis, and Shape-Complementedin SilicoScreening Allow Access to Novel Influenza Neuraminidase Inhibitors

(2009) Areej M. Abu Hammad et al.   Journal of Chemical Information and Modeling

Pharmacophore and QSAR modeling of estrogen receptor β ligands and subsequent validation and in silico search for new hits

(2009) Mutasem O. Taha et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Evaluating the 3C-like protease activity of SARS-Coronavirus: Recommendations for standardized assays for drug discovery

(2007) Valerie Grum-Tokars et al.   VIRUS RESEARCH