Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (Mpro)

Plasma Hsp90 levels in patients with systemic sclerosis and relation to lung and skin involvement: a cross-sectional and longitudinal study

(2021) Hana Štorkánová et al.   Scientific Reports

Virtual screening, ADMET profiling, PASS prediction, and bioactivity studies of potential inhibitory roles of alkaloids, phytosterols, and flavonoids against COVID-19 main protease (Mpro)

(2021) Misbaudeen Abdul-Hammed et al.   NATURAL PRODUCT RESEARCH

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

Chloroquine for the 2019 novel coronavirus SARS-CoV-2

(2020) Philippe Colson et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Cutting Edge: The Use of Topical Aminoglycosides as an Effective Pull in “Prime and Pull” Vaccine Strategy

(2020) Smita Gopinath et al.   JOURNAL OF IMMUNOLOGY

A familial cluster of pneumonia associated with the 2019 novel coronavirus indicating person-to-person transmission: a study of a family cluster

(2020) Jasper Fuk-Woo Chan et al.   LANCET

Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study

(2020) Nanshan Chen et al.   LANCET

Coronavirus Disease 2019: Coronaviruses and Blood Safety

(2020) Le Chang et al.   TRANSFUSION MEDICINE REVIEWS

Hydroxychloroquine and azithromycin as a treatment of COVID-19: results of an open-label non-randomized clinical trial

(2020) Philippe Gautret et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Aerodynamic analysis of SARS-CoV-2 in two Wuhan hospitals

(2020) Yuan Liu et al.   NATURE

Therapeutic Potential for Tetracyclines in the Treatment of COVID‐19

(2020) Mohit Sodhi et al.   PHARMACOTHERAPY

The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro

(2020) Leon Caly et al.   ANTIVIRAL RESEARCH

A systematic review on the efficacy and safety of chloroquine for the treatment of COVID-19

(2020) Andrea Cortegiani et al.   JOURNAL OF CRITICAL CARE

Molecular binding mechanism and pharmacology comparative analysis of noscapine for repurposing against SARS-CoV-2 protease

(2020) Neeraj Kumar et al.   JOURNAL OF PROTEOME RESEARCH

Ongoing Clinical Trials for the Management of the COVID-19 Pandemic

(2020) Mark P. Lythgoe et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Antitussive noscapine and antiviral drug conjugates as arsenal against COVID-19: a comprehensive chemoinformatics analysis

(2020) Neeraj Kumar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Azithromycin, a 15-membered macrolide antibiotic, inhibits influenza A(H1N1)pdm09 virus infection by interfering with virus internalization process

(2019) Dat Huu Tran et al.   JOURNAL OF ANTIBIOTICS

Structure based virtual screening of the Ebola virus trimeric glycoprotein using consensus scoring

(2018) Abdulmujeeb T. Onawole et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

CASTp 3.0: computed atlas of surface topography of proteins

(2018) Wei Tian et al.   NUCLEIC ACIDS RESEARCH

Topical application of aminoglycoside antibiotics enhances host resistance to viral infections in a microbiota-independent manner

(2018) Smita Gopinath et al.   Nature Microbiology

Molecular dynamics and combined docking studies for the identification of Zaire Ebola Virus inhibitors

(2018) Kazeem O. Sulaiman et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of potential inhibitors against the Zika virus using consensus scoring

(2017) Abdulmujeeb T. Onawole et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

(2016) Antoine Daina et al.   ChemMedChem

The influence of commensal bacteria on infection with enteric viruses

(2016) Stephanie M. Karst   NATURE REVIEWS MICROBIOLOGY

Zika virus cell tropism in the developing human brain and inhibition by azithromycin

(2016) Hanna Retallack et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Resisting the use of antibiotics for viral infections

(2016) Sanjay Tanday   Lancet Respiratory Medicine

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT3A, Histamine H1, and Histamine H4 Receptors

(2015) Sabine Schultes et al.   Journal of Chemical Information and Modeling

Molecular Docking and Structure-Based Drug Design Strategies

(2015) Leonardo Ferreira et al.   MOLECULES

The role of ligand efficiency metrics in drug discovery

(2014) Andrew L. Hopkins et al.   NATURE REVIEWS DRUG DISCOVERY

admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

(2012) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery

(2011) Fabian Lopez-Vallejo et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Society's failure to protect a precious resource: antibiotics

(2011) Jean Carlet et al.   LANCET

Principles of early drug discovery

(2010) JP Hughes et al.   BRITISH JOURNAL OF PHARMACOLOGY

Advances and Challenges in Protein-Ligand Docking

(2010) Sheng-You Huang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES