Cyanobacterial metabolites as promising drug leads against the Mpro and PLpro of SARS-CoV-2: an in silico analysis

Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding

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Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China

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Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission

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Characterization of the receptor-binding domain (RBD) of 2019 novel coronavirus: implication for development of RBD protein as a viral attachment inhibitor and vaccine

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Repurposing of chloroquine and some clinically approved antiviral drugs as effective therapeutics to prevent cellular entry and replication of coronavirus

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An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study

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Peptide-like and small-molecule inhibitors against Covid-19

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A review on the cleavage priming of the spike protein on coronavirus by angiotensin-converting enzyme-2 and furin

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An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets

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Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): an in silico screening of alkaloids and terpenoids from African medicinal plants

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Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

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Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

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FDA-approved thiol-reacting drugs that potentially bind into the SARS-CoV-2 main protease, essential for viral replication

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Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19

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Stilbene-based natural compounds as promising drug candidates against COVID-19

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Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes

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Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target

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Reverse vaccinology approach to design a novel multi-epitope vaccine candidate against COVID-19: an in silico study

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Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach

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In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)

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Marine Cyanobacteria: A Source of Lead Compounds and their Clinically-Relevant Molecular Targets

(2020) Lik Tong Tan et al.   MOLECULES

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

(2020) Zhenming Jin et al.   NATURE

The proximal origin of SARS-CoV-2

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New role for crinamine as a potent, safe and selective inhibitor of human monoamine oxidase B: In vitro and in silico pharmacology and modeling

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ProTox-II: a webserver for the prediction of toxicity of chemicals

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Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents

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Cryptophycins: cytotoxic cyclodepsipeptides with potential for tumor targeting

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vNN Web Server for ADMET Predictions

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SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

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Ubiquitin signaling in immune responses

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The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds

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SARS hCoV papain-like protease is a unique Lys48linkage-specific di-distributive deubiquitinating enzyme

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Pan Assay Interference Compounds (PAINS) and Other Promiscuous Compounds in Antifungal Research

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pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

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PLIP: fully automated protein–ligand interaction profiler

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g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

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The role of ligand efficiency metrics in drug discovery

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

The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations

(2013) Michael D. Shultz   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease

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Open Babel: An open chemical toolbox

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Principles of early drug discovery

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Eucapsitrione, an Anti-Mycobacterium tuberculosisAnthraquinone Derivative from the Cultured Freshwater CyanobacteriumEucapsissp.

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Toxicity of cylindrospermopsin, and other apparent metabolites from Cylindrospermopsis raciborskii and Aphanizomenon ovalisporum, to the zebrafish (Danio rerio) embryo

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