Target TMPRSS2, Spike protein

Aktuelle Version vom 18. Januar 2021, 20:08 Uhr

TMPRSS2

32334052 2020. Repurposing the mucolytic cough suppressant and TMPRSS2 protease inhibitor bromhexine for the prevention and management of SARS-CoV-2 infection
32360584 ä. Possible use of the mucolytic drug, bromhexine hydrochloride, as a prophylactic agent against SARS-CoV-2 infection based on its action on the Transmembrane Serine Protease 2
32376987 2020. Inhibition of Influenza A virus propagation by benzoselenoxanthenes stabilizing TMPRSS2 Gene G-quadruplex and hence down-regulating TMPRSS2 expression
32276929 2020. TMPRSS2 and COVID-19: Serendipity or Opportunity for Intervention?
32469279 2020. Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells.
32595355 2020. Virtual drug repurposing study against SARS-CoV-2 TMPRSS2 target.

any specific other target will be 'parked' here !
32366817 2020. A human monoclonal antibody blocking SARS-CoV-2 infection
32286538 ä. Human antibodies can neutralize SARS-CoV-2
32428392 2020. Characterization and Noncovalent Inhibition of the Deubiquitinase and deISGylase Activity of SARS-CoV-2 Papain-Like Protease.

32462970 2020. Identification of potential inhibitors of SARS-COV-2 endoribonuclease (EndoU) from FDA approved drugs: a drug repurposing approach to find therapeutics for COVID-19.

Main coronavirus protease, mPro
32374074 2020. Potential anti-SARS-CoV-2 drug candidates identified through virtual screening of the ChEMBL database for compounds that target the main coronavirus protease
32353978 2020. Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
32173287 ä. Potential inhibitors against 2019-nCoV coronavirus M protease from clinically approved medicines
32251634 2020. Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease
32340389 2020. Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study
32198291 2020. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved ?-ketoamide inhibitors
32321856 ä. Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
32362735 ä. Insights into the inhibitory potential of selective phytochemicals against Mpro of 2019-nCoV: a computer-aided study
32373991 2020. In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking
32306860 2020. Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations
32329419 2020. Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach
32329408 2020. Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease
32362235 2020. Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures
32362243 2020. Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target
32364011 2020. FDA-approved thiol-reacting drugs that potentially bind into the SARS-CoV-2 main protease, essential for viral replication
32362245 2020. An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study
32340562 2020. A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2
32162456 ä. Rapid Identification of Potential Inhibitors of SARS?CoV?2 Main Protease by Deep Docking of 1 3?Billion Compounds
32272481 2020. Structure of M(pro) from SARS-CoV-2 and discovery of its inhibitors
32162456 2020. Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1 3 Billion Compounds
32363219 ä. Binding site analysis of potential protease inhibitors of COVID-19 using AutoDock
32471205 2020. Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition.
32455534 2020. Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds.
32490889 2020. Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach.
32485894 2020. In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus.
32448818 2020. Protease Inhibitors: Candidate Drugs to Inhibit Severe Acute Respiratory Syndrome Coronavirus 2 Replication.
32476594 2020. Virtual screening, ADME/T, and binding free energy analysis of anti-viral, anti-protease, and anti-infectious compounds against NSP10/NSP16 methyltransferase and main protease of SARS CoV-2.
32382072 2020. Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
32448034 2020. Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches.
32452282 2020. Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease.
32410504 2020. Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study.
32396767 2020. Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations.
32476576 2020. Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies.
32441299 2020. Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: possible implication in COVID-19 therapy.
32436829 2020. Triazavirin - Potential inhibitor for 2019-nCoV Coronavirus M protease: A DFT study.
32397940 2020. Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors.
32406317 2020. Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach.
32396769 2020. Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach.
32402186 2020. Targeting the Dimerization of the Main Protease of Coronaviruses: A Potential Broad-Spectrum Therapeutic Strategy.

32431217 2020. Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (M(pro)) of SARS-CoV-2 and inhibit its activity.
32450166 2020. Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 M(pro) enzyme through in silico approach.
32412544 2020. In silico fight against novel coronavirus by finding chromone derivatives as inhibitor of coronavirus main proteases enzyme.
32541865 2020. Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
32579907 2020. Paromomycin: a potential dual targeted drug effectively inhibits both Spike (S1) and Main Protease of COVID-19.
32561274 2020. In silico prediction of potential inhibitors for the Main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing.
32558640 2020. Cibler la protease majeure du SARS-CoV-2 pour fabriquer un medicament efficace contre ce coronavirus.
32557405 2020. Recognition of Natural Products as Potential Inhibitors of COVID-19 Main Protease (Mpro): In-Silico Evidences.
32571168 2020. Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target.
32568613 2020. Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors - an in silico docking and molecular dynamics simulation study.
32567995 2020. Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation.
32567989 2020. In silico identification of potential inhibitors from Cinnamon against main protease and spike glycoprotein of SARS CoV-2.
32567501 2020. Constituents of buriti oil (Mauritia flexuosa L.) like inhibitors of the SARS-Coronavirus main peptidase: an investigation by docking and molecular dynamics.
32459144 2020. Discovery of alliin as a putative inhibitor of the main protease of SARS-CoV-2 by molecular docking.
32518817 2020. Synthesis, Spectroscopic Characterizations of Novel Norcantharimides, Their ADME Properties and Docking Studies Against COVID-19 M(pr) degrees .
32485652 2020. Interaction of the prototypical alpha-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the stability of the ligand-protein complex.
32602074 2020. Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19.
32552361 2020. Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro).
32544024 2020. An in silico approach for identification of novel inhibitors as potential therapeutics targeting COVID-19 main protease.

32530282 2020. Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease.
32539372 2020. Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7).

3CL hydrolase-protease,3C-like proteinase, 3CLpro, 3-chymotrypsin-like protease, 3CL(pro)

32306862 2020. Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes
32266873 2020. Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2?-O-ribose methyltransferase
32247821 2020. 3CLpro inhibitors as a potential therapeutic option for COVID-19: Available evidence and ongoing clinical trials
32296570 ä. Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants?
32294562 ä. A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease
32098094 2020. Structural Basis for Inhibiting Porcine Epidemic Diarrhea Virus Replication with the 3C-Like Protease Inhibitor GC376
31690127 2019. Identification of novel proteolytically inactive mutations in coronavirus 3C-like protease using a combined approach
32367767 2020. Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CL(pro)): an in silico screening of alkaloids and terpenoids from African medicinal plants
32238094 2020. Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach
32363219 ä. Binding site analysis of potential protease inhibitors of COVID-19 using AutoDock
32534187 2020. Potential of coronavirus 3C-like protease inhibitors for the development of new anti-SARS-CoV-2 drugs: Insights from structures of protease and inhibitors.
32579061 2020. Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CL(pro).
32543892 2020. Development of a simple, interpretable and easily transferable QSAR model for quick screening antiviral databases in search of novel 3C-like protease (3CLpro) enzyme inhibitors against SARS-CoV diseases.
32608329 2020. In silico analysis and identification of promising hits against 2019 novel coronavirus 3C-like main protease enzyme.
32552534 2020. Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation.
32551639 2020. Discovery of New Hydroxyethylamine Analogs against 3CL(pro) Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure-Activity Relationship Studies.

PLpro papain-like protease
32568618 2020. Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors.
32597315 2020. Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease.

Envelope protein ion channel
32238078 2020. In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel

2alpha-O-ribose methyltransferase
32266873 2020. Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2?-O-ribose methyltransferase

Deubiquinases'
32429099 2020. Deubiquitinating Enzymes in Coronaviruses and Possible Therapeutic Opportunities for COVID-19.

Helicase
32399096 2020. State-of-the-art tools unveil potent drug targets amongst clinically approved drugs to inhibit helicase in SARS-CoV-2.

32536457 2020. Should We Try SARS-CoV-2 Helicase Inhibitors for COVID-19 Therapy?

nsp10 RNA polymerase

• AV Remdesivir

32469301 2020. Potential RNA-dependent RNA polymerase inhibitors as prospective therapeutics against SARS-CoV-2.
32535456 2020. Natural RNA dependent RNA polymerase inhibitors: Molecular docking studies of some biologically active alkaloids of Argemone mexicana.
32370758 2020. SARS-CoV-2 RNA polymerase as target for antiviral therapy
32222463 ä. Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
32357471 2020. Feasibility of Known RNA Polymerase Inhibitors as Anti-SARS-CoV-2 Drugs
32338164 2020. SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective
32277065 2020. Halting coronavirus polymerase
32579254 2020. SARS-CoV-2 and SARS-CoV: Virtual Screening of Potential inhibitors targeting RNA-dependent RNA polymerase activity (NSP12).

nsp10 nsp16 methytransferase
32476594 2020. Virtual screening, ADME/T, and binding free energy analysis of anti-viral, anti-protease, and anti-infectious compounds against NSP10/NSP16 methyltransferase and main protease of SARS CoV-2.
32573355 2020. Targeting SARS-COV-2 non-structural protein 16: a virtual drug repurposing study.

Nsp14 cap guanine-N7 methyltransferase
32567979 2020. Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19.
32563813 2020. Synthesis of adenine dinucleosides SAM analogs as specific inhibitors of SARS-CoV nsp14 RNA cap guanine-N7-methyltransferase.

NSP15
32345124 2020. An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets
32552462 2020. Identification of bioactive compounds from Glycyrrhiza glabra as possible inhibitor of SARS-CoV-2 spike glycoprotein and non-structural protein-15: a pharmacoinformatics study.

N-Protein, nucleocapsid phosphoprotein
32266867 2020. In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)
32568013 2020. Virtual screening and dynamics of potential inhibitors targeting RNA binding domain of nucleocapsid phosphoprotein from SARS-CoV-2.