Related references
Note: Only part of the references are listed.Protein structure analysis of the interactions between SARS-CoV-2 spike protein and the human ACE2 receptor: from conformational changes to novel neutralizing antibodies
Ivan Mercurio et al.
CELLULAR AND MOLECULAR LIFE SCIENCES (2021)
Three Emerging Coronaviruses in Two Decades The Story of SARS, MERS, and Now COVID-19
Jeannette Guarner
AMERICAN JOURNAL OF CLINICAL PATHOLOGY (2020)
Comparative Assessment of the Sensitivity of Fish Early-Life Stage, Daphnia, and Algae Tests to the Chronic Ecotoxicity of Xenobiotics: Perspectives for Alternatives to Animal Testing
Elisabet Teixido et al.
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2020)
Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2
Renhong Yan et al.
SCIENCE (2020)
Spike protein recognition of mammalian ACE2 predicts the host range and an optimized ACE2 for SARS-CoV-2 infection
Junwen Luan et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2020)
A rational roadmap for SARS-CoV-2/COVID-19 pharmacotherapeutic research and development
Steve P. H. Alexander et al.
BRITISH JOURNAL OF PHARMACOLOGY (2020)
Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2
Qihui Wang et al.
CELL (2020)
Mercury 4.0: from visualization to analysis, design and prediction
Clare F. Macrae et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2020)
Rapid repurposing of drugs for COVID-19
R. Kiplin Guy et al.
SCIENCE (2020)
Remdesivir, lopinavir, emetine, and homoharringtonine inhibit SARS-CoV-2 replication in vitro
Ka-Tim Choy et al.
ANTIVIRAL RESEARCH (2020)
Critical Differences between the Binding Features of the Spike Proteins of SARS-CoV-2 and SARS-CoV
Chen Bai et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and interactions
Yingjie Wang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
Engineering human ACE2 to optimize binding to the spike protein of SARS coronavirus 2
Kui K. Chan et al.
SCIENCE (2020)
Dynamics of the ACE2-SARS-CoV-2/SARS-CoV spike protein interface reveal unique mechanisms
Amanat Ali et al.
SCIENTIFIC REPORTS (2020)
SARS-CoV-2 pandemic and research gaps: Understanding SARS-CoV-2 interaction with the ACE2 receptor and implications for therapy
Prasun K. Datta et al.
THERANOSTICS (2020)
Systematic Identification of Thiosemicarbazides for Inhibition of Toxoplasma gondii Growth In Vitro
Agata Paneth et al.
MOLECULES (2019)
Discovery of Potent and Selective Halogen-Substituted Imidazole-Thiosemicarbazides for Inhibition of Toxoplasma gondii Growth In Vitro via Structure-Based Design
Agata Paneth et al.
MOLECULES (2019)
Assessment of Nonnucleoside Inhibitors Binding to HIV-1 Reverse Transcriptase Using HYDE Scoring
Agata Paneth et al.
PHARMACEUTICALS (2019)
Dual Antibacterial and Anticancer Activity of 4-Benzoyl-1-dichloro- benzoylthiosemicarbazide Derivatives
Barbara Kapron et al.
ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY (2018)
Prediction of binding potential of natural leads against the prioritized drug targets of chikungunya and dengue viruses by computational screening
Ambika R. Keramagi et al.
3 BIOTECH (2018)
Prediction of binding potential of natural leads against the prioritized drug targets of chikungunya and dengue viruses by computational screening
Ambika R. Keramagi et al.
3 BIOTECH (2018)
Molecular mechanism of action and safety of 5-(3-chlorophenyl)-4-hexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione - a novel anticonvulsant drug candidate
Barbara Kapron et al.
INTERNATIONAL JOURNAL OF MEDICAL SCIENCES (2017)
What do docking and QSAR tell us about the design of HIV-1 reverse transcriptase nonnucleoside inhibitors?
Agata Paneth et al.
JOURNAL OF MOLECULAR MODELING (2017)
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina et al.
SCIENTIFIC REPORTS (2017)
Synthesis and antibacterial activity of 1,4-dibenzoylthiosemicarbazide derivatives
Agata Paneth et al.
BIOMEDICINE & PHARMACOTHERAPY (2017)
Searching for novel scaffold of triazole non-nucleoside inhibitors of HIV-1 reverse transcriptase
Tomasz Fraczek et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2016)
Design, synthesis and biological evaluation of 4-benzoyl-1-dichlorobenzoylthiosemicarbazides as potent Gram-positive antibacterial agents
Agata Paneth et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2016)
A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules
Antoine Daina et al.
CHEMMEDCHEM (2016)
Preliminary Pharmacological Screening of Some Thiosemicarbazide, s-triazole, and Thiadiazole Derivatives
Agata Paneth et al.
CNS & NEUROLOGICAL DISORDERS-DRUG TARGETS (2016)
A screen of the NIH Clinical Collection small molecule library identifies potential anti-coronavirus drugs
Jianzhong Cao et al.
ANTIVIRAL RESEARCH (2015)
Search for factors affecting antibacterial activity and toxicity of 1,2,4-triazole-ciprofloxacin hybrids
Tomasz Plech et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2015)
Search for human DNA topoisomerase II poisons in the group of 2,5-disubstituted-1,3,4-thiadiazoles
Tomasz Plech et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2015)
Structure-activity Relationship Studies of Microbiologically Active Thiosemicarbazides Derived from Hydroxybenzoic Acid Hydrazides
Tomasz Plech et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2015)
Triazole-Based Compound as a Candidate To Develop Novel Medicines To Treat Toxoplasmosis
Katarzyna Dzitko et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2014)
Studies on the anticonvulsant activity of 4-alkyl-1,2,4-triazole-3-thiones and their effect on GABAergic system
Tomasz Plech et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2014)
Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results
Yan Li et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Cytotoxicity and topoisomerase I/II inhibition activity of novel 4-aryl/alkyl-1-(piperidin-4-yl)-carbonylthiosemicarbazides and 4-benzoylthiosemicarbazides
Agata Siwek et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2014)
Pharmacological and Structure-Activity Relationship Evaluation of 4-aryl-1-Diphenylacetyl(thio)semicarbazides
Monika Wujec et al.
MOLECULES (2014)
Studies on the Anticonvulsant Activity and Influence on GABA-ergic Neurotransmission of 1,2,4-Triazole-3-thione-Based Compounds
Tomasz Plech et al.
MOLECULES (2014)
1,4-Disubstituted Thiosemicarbazide Derivatives are Potent Inhibitors of Toxoplasma gondii Proliferation
Katarzyna Dzitko et al.
MOLECULES (2014)
Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide-a novel topoisomerase II inhibitor
Agata Siwek et al.
JOURNAL OF MOLECULAR MODELING (2013)
SWEETLEAD: an In Silico Database of Approved Drugs, Regulated Chemicals, and Herbal Isolates for Computer-Aided Drug Discovery
Paul A. Novick et al.
PLOS ONE (2013)
Middle East Respiratory Syndrome coronavirus (MERS CoV): Update 2013
Poh Lian Lim et al.
CURRENT INFECTIOUS DISEASE REPORTS (2013)
SwissDock, a protein-small molecule docking web service based on EADock DSS
Aurelien Grosdidier et al.
NUCLEIC ACIDS RESEARCH (2011)
Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
Oleg Trott et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery
Santiago Vilar et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2008)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
A novel coronavirus associated with severe acute respiratory syndrome
TG Ksiazek et al.
NEW ENGLAND JOURNAL OF MEDICINE (2003)
Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties
P Ertl et al.
JOURNAL OF MEDICINAL CHEMISTRY (2000)