PHA ACE2 drug design

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Target ACE2, Spike protein
PHA SCR spike protein general aspects
and other Spike drug targets

ACE2, RBD, any Spike


32437749 2020. Human Intestinal Defensin 5 Inhibits SARS-CoV-2 Invasion by Cloaking ACE2.
C7151553 2020. COVID-19 Coronavirus spike protein analysis for synthetic vaccines, a peptidomimetic antagonist, and therapeutic drugs, and analysis of a proposed achilles? heel conserved region to minimize probability of escape mutations and drug resistance


32286790 ä. Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV-2
32455942 2020. Potential Therapeutic Targeting of Coronavirus Spike Glycoprotein Priming.
32527713 2020. In Silico computational screening of Kabasura Kudineer - Official Siddha Formulation and JACOM against SARS-CoV-2 spike protein.
32231345 2020. Inhibition of SARS-CoV-2 infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion
32354636 ä. Blockade of SARS-CoV-2 infection by recombinant soluble ACE2
32332922 ä. SARS-CoV-2 infection of kidney organoids prevented with soluble human ACE2
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
32359080 2020. Off-target ACE2 ligands: Possible therapeutic option for CoVid-19?
32167153 2020. Soluble angiotensin-converting enzyme 2: a potential approach for coronavirus infection therapy?
32373991 2020. In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking
32232976 2020. CD-sACE2 inclusion compounds: An effective treatment for coronavirus disease 2019 (COVID-19)
32362217 2020. In silico study the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria
32345124 2020. An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets
32379346 2020. ACE2 Activators for the Treatment of Covid 19 Patients
32332765 2020. Neutralization of SARS-CoV-2 spike pseudotyped virus by recombinant ACE2-Ig
32376627 2020. Design of potent membrane fusion inhibitors against SARS-CoV-2, an emerging coronavirus with high fusogenic activity
32380200 ä. In Silico Design of Antiviral Peptides Targeting the Spike Protein of SARS-CoV-2

C7197610 ä. Isolation of a human monoclonal antibody specific for the receptor binding domain of SARS-CoV-2 using a competitive phage biopanning strategy
32231345 ä. Inhibition of SARS-CoV-2 infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion
Here we generated a series of lipopeptides derived from EK1 and found that EK1C4 was the most potent fusion inhibitor against SARS-CoV-2 S protein-mediated membrane fusion and pseudovirus infection


32336762 2012. Design of Angiotensin?converting Enzyme 2 (ACE2) Inhibitors by Virtual Lead Optimization and Screening
32380200 2020. In silico design of antiviral peptides targeting the spike protein of SARS-CoV-2
32065055 2020. Potent binding of 2019 novel coronavirus spike protein by a SARS coronavirus-specific human monoclonal antibody
32285293 ä. Searching therapeutic strategy of new coronavirus pneumonia from angiotensin-converting enzyme 2: the target of COVID-19 and SARS-CoV
32313207 ä. Human monoclonal antibodies block the binding of SARS-CoV-2 spike protein to angiotensin converting enzyme 2 receptor
32451080 ä. A possible strategy to fight COVID-19: Interfering with spike glycoprotein trimerization
32423095 2020. The Expression and Polymorphism of Entry Machinery for COVID-19 in Human: Juxtaposing Population Groups, Gender, and Different Tissues.
32403995 2020. Development of multi-specific humanized llama antibodies blocking SARS-CoV-2/ACE2 interaction with high affinity and avidity.
32592145 2020. Identification of a Potential Peptide Inhibitor of SARS-CoV-2 Targeting its Entry into the Host Cells.
32551560 2020. Discovery of Aptamers Targeting Receptor-Binding Domain of the SARS-CoV-2 Spike Glycoprotein.
32547694 2020. Blocking Coronavirus 19 Infection via the SARS-CoV-2 Spike Protein: Initial Steps.
32593613 2020. Testing of natural products in clinical trials targeting the SARS-CoV-2 (Covid-19) Viral Spike Protein-Angiotensin Converting Enzyme-2 (ACE2) interaction.
32540428 2020. Eltrombopag is a potential target for drug intervention in SARS-CoV-2 spike protein.
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.

32565126 2020. Targeting the SARS-CoV-2 spike glycoprotein prefusion conformation: virtual screening and molecular dynamics simulations applied to the identification of potential fusion inhibitors.


32416259 2020. On the interactions of the receptor-binding domain of SARS-CoV-1 and SARS-CoV-2 spike proteins with monoclonal antibodies and the receptor ACE2.
32644208 2020. Erythropoietin Induced Hemoglobin Sub-Unit Beta may Stimulate Innate Immune RNA Virus Pattern Recognition, Suppress Reactive Oxygen Species, Reduce ACE2 Viral Doorway Opening and Neutrophil Extracellular Traps against Covid-19.
32656827 2020. Letter: ACE2, Rho kinase inhibition and the potential role of vitamin D against COVID-19.
32661423 2020. Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
32665234 2020. Drug treatments affecting ACE2 in COVID-19 infection: a systematic review protocol.
32693122 2020. A molecular docking study revealed that synthetic peptides induced conformational changes in the structure of SARS-CoV-2 spike glycoprotein, disrupting the interaction with human ACE2 receptor.
32721806 2020. Spironolactone may provide protection from SARS-CoV-2: Targeting androgens, angiotensin converting enzyme 2 (ACE2), and renin-angiotensin-aldosterone system (RAAS).
32739642 2020. Prioritizing potential ACE2 inhibitors in the COVID-19 pandemic: Insights from a molecular mechanics-assisted structure-based virtual screening experiment.
32749644 2020. ACE2 and SARS-CoV-2 Infection: Might GLP-1 Receptor Agonists Play a Role?
32752951 2020. Molecular docking, molecular dynamics simulations and reactivity, studies on approved drugs library targeting ACE2 and SARS-CoV-2 binding with ACE2.
32753842 2020. Plasmapheresis, Anti-ACE2 and Anti-FcgammaRII Monoclonal Antibodies: A Possible Treatment for Severe Cases of COVID-19.
32765844 2020. In silico screening of known small molecules to bind ACE2 specific RBD on Spike glycoprotein of SARS-CoV-2 for repurposing against COVID-19.
32797326 2020. A narrative review of the potential pharmacological influence and safety of ibuprofen on coronavirus disease 19 (COVID-19), ACE2, and the immune system: a dichotomy of expectation and reality.
32798222 2020. Plasma from recovered COVID-19 subjects inhibits spike protein binding to ACE2 in a microsphere-based inhibition assay.
32818905 2020. ACE2, Metformin, and COVID-19.
32826914 2020. A cross-reactive human IgA monoclonal antibody blocks SARS-CoV-2 spike-ACE2 interaction.
32834922 2020. Molecular docking suggests repurposing of brincidofovir as a potential drug targeting SARS-CoV-2 ACE2 receptor and main protease.
32838301 2020. Employing bioactive compounds derived from Ipomoea obscura (L.) to evaluate potential inhibitor for SARS-CoV-2 main protease and ACE2 protein.
32848769 2020. DPP4 and ACE2 in Diabetes and COVID-19: Therapeutic Targets for Cardiovascular Complications?
32864982 2020. Interaction Between Coronavirus S-Protein and Human ACE2: Hints for Exploring Efficient Therapeutic Targets to Treat COVID-19.
32866780 2020. Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2.
32871846 2020. Ivermectin Docks to the SARS-CoV-2 Spike Receptor-binding Domain Attached to ACE2.
32905794 2020. The inorganic polymer, polyphosphate, blocks binding of SARS-CoV-2 spike protein to ACE2 receptor at physiological concentrations.
32915473 2020. Gold Metallodrugs to Target Coronavirus Proteins: Inhibitory Effects on the Spike-ACE2 Interaction and on PLpro Protease Activity by Auranofin and Gold Organometallics.
32969333 2020. Repurposing of the approved small molecule drugs in order to inhibit SARS-CoV-2 S protein and human ACE2 interaction through virtual screening approaches.
33015820 2020. The therapeutic potential of targeting ACE2 in COVID-19.
33023417 2020. In silico exploration of small-molecule alpha-helix mimetics as inhibitors of SARS-COV-2 attachment to ACE2.
33030105 2020. Molecular dynamics analysis predicts ritonavir and naloxegol strongly block the SARS-CoV-2 spike protein-hACE2 binding.
33041407 2020. Promising terpenes as SARS-CoV-2 spike receptor-binding domain (RBD) attachment inhibitors to the human ACE2 receptor: Integrated computational approach.
33042151 2020. Blocking of the High-Affinity Interaction-Synapse Between SARS-CoV-2 Spike and Human ACE2 Proteins Likely Requires Multiple High-Affinity Antibodies: An Immune Perspective.
33052306 2020. Comparative docking studies to understand the binding affinity of nicotine with soluble ACE2 (sACE2)-SARS-CoV-2 complex over sACE2.
33053830 2020. Docking and QSAR of Aminothioureas at the SARS-CoV-2 S-Protein-Human ACE2 Receptor Interface.
33072499 2020. Identifying potential anti-COVID-19 pharmacological components of traditional Chinese medicine Lianhuaqingwen capsule based on human exposure and ACE2 biochromatography screening.

33073716 2020. A computational and bioinformatic analysis of ACE2: an elucidation of its dual role in COVID-19 pathology and finding its associated partners as potential therapeutic targets.


33077836 2020. Molecular docking study of potential phytochemicals and their effects on the complex of SARS-CoV2 spike protein and human ACE2.
33080900 2020. In silico Investigation on the Inhibiting Role of Nicotine/Caffeine by Blocking the S Protein of SARS-CoV-2 Versus ACE2 Receptor.
33082574 2020. Bi-paratopic and multivalent VH domains block ACE2 binding and neutralize SARS-CoV-2.
33172372 2020. Tinocordiside from Tinospora cordifolia (Giloy) May Curb SARS-CoV-2 Contagion by Disrupting the Electrostatic Interactions between Host ACE2 and Viral S-Protein Receptor Binding Domain.
33175236 2020. Molecular basis for drug repurposing to study the interface of the S protein in SARS-CoV-2 and human ACE2 through docking, characterization, and molecular dynamics for natural drug candidates.
33184600 2020. Peptide modelling and screening against human ACE2 and spike glycoprotein RBD of SARS-CoV-2.
33191178 2020. Chicken Egg Yolk Antibodies (IgYs) block the binding of multiple SARS-CoV-2 spike protein variants to human ACE2.
33193684 2020. Predicting the Animal Susceptibility and Therapeutic Drugs to SARS-CoV-2 Based on Spike Glycoprotein Combined With ACE2.
33195060 2020. Hijacking SARS-CoV-2/ACE2 Receptor Interaction by Natural and Semi-synthetic Steroidal Agents Acting on Functional Pockets on the Receptor Binding Domain.
33200026 2020. Chinese herbal compounds against SARS-CoV-2: Puerarin and quercetin impair the binding of viral S-protein to ACE2 receptor.
33208074 2020. Inhibition of S-protein RBD and hACE2 Interaction for Control of SARSCoV-2 Infection (COVID-19).
33210243 2020. Repurposing FDA-approved drugs for SARS-CoV-2 through an ELISA-based screening for the inhibition of RBD/ACE2 interaction.
33214002 2020. Is there an underlying link between COVID-19, ACE2, oxytocin and vitamin D?
33130382 2021. A natural food preservative peptide nisin can interact with the SARS-CoV-2 spike protein receptor human ACE2.
33231598 2020. The biomaterial polyphosphate blocks stoichiometric binding of the SARS-CoV-2 S-protein to the cellular ACE2 receptor.
33245731 2020. MEK inhibitors reduce cellular expression of ACE2, pERK, pRb while stimulating NK-mediated cytotoxicity and attenuating inflammatory cytokines relevant to SARS-CoV-2 infection.
33260592 2020. Carnosine to Combat Novel Coronavirus (nCoV): Molecular Docking and Modeling to Cocrystallized Host Angiotensin-Converting Enzyme 2 (ACE2) and Viral Spike Protein.
33262453 2020. Dalbavancin binds ACE2 to block its interaction with SARS-CoV-2 spike protein and is effective in inhibiting SARS-CoV-2 infection in animal models.
33318880 ?. Protoporphyrin IX and verteporfin potently inhibit SARS-CoV-2 infection in vitro and in a mouse model expressing human ACE2.
32748331 2020. Physiological Relevance of Angiotensin Converting Enzyme 2 As a Metabolic Linker and Therapeutic Implication of Mesenchymal Stem Cells in COVID-19 and Hypertension.
32878881 2020. Denovo designing, retrosynthetic analysis, and combinatorial synthesis of a hybrid antiviral (VTAR-01) to inhibit the interaction of SARS-CoV2 spike glycoprotein with human angiotensin-converting enzyme 2.
32882868 2020. Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2.
33039544 2021. Anti-inflammatory drugs and the renin-angiotensin-aldosterone system: Current knowledge and potential effects on early SARS-CoV-2 infection.
33083517 2020. Leaving no stone unturned: Allosteric targeting of SARS-CoV-2 spike protein at putative druggable sites disrupts human angiotensin-converting enzyme interactions at the receptor binding domain.
33146070 2020. Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain-human angiotensin-converting enzyme 2 interface to combat SARS-CoV-2.
33281124 2020. Drug repurposing for identification of potential inhibitors against SARS-CoV-2 spike receptor-binding domain: An in silico approach.
33287311 2020. Geranii Herba as a Potential Inhibitor of SARS-CoV-2 Main 3CL(pro), Spike RBD, and Regulation of Unfolded Protein Response: An In Silico Approach.
C7685779 2020. An in silico LLPS perturbation approach in the design of a novel SARS-CoV-2 spike receptor-binding domain inhibitor.
32551648 2020. The Discovery of a Putative Allosteric Site in the SARS-CoV-2 Spike Protein Using an Integrated Structural/Dynamic Approach.
32651581 2020. Rapid isolation and profiling of a diverse panel of human monoclonal antibodies targeting the SARS-CoV-2 spike protein.
32653452 2020. Characterization of heparin and severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) spike glycoprotein binding interactions.
32698192 2020. Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
32698689 2020. Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development.
32699321 2020. Controlling the SARS-CoV-2 spike glycoprotein conformation.
32700671 2020. Monoclonal antibodies for the S2 subunit of spike of SARS-CoV-1 cross-react with the newly-emerged SARS-CoV-2.
32721804 2020. Recombinant protein targeting and opsonizing spike glycoprotein for enhancing SARS-CoV-2 phagocytosis.
32740825 2020. In Silico Screening of Potential Spike Glycoprotein Inhibitors of SARS-CoV-2 with Drug Repurposing Strategy.
32747721 2020. Structural and functional properties of SARS-CoV-2 spike protein: potential antivirus drug development for COVID-19.
32768882 2020. Targeting SARS-CoV2 Spike Protein Receptor Binding Domain by Therapeutic Antibodies.
32798222 2020. Plasma from recovered COVID-19 subjects inhibits spike protein binding to ACE2 in a microsphere-based inhibition assay.
32802318 2020. Potential chimeric peptides to block the SARS-CoV-2 spike receptor-binding domain.
32838660 2020. Structure-based drug repurposing for targeting Nsp9 replicase and spike proteins of severe acute respiratory syndrome coronavirus 2.
32846196 2020. Prospect of SARS-CoV-2 spike protein: Potential role in vaccine and therapeutic development.
32855401 2020. A panel of human neutralizing mAbs targeting SARS-CoV-2 spike at multiple epitopes.
32867645 2020. Neutralization of SARS-CoV-2 Spike Protein via Natural Compounds: A Multi Layered High Throughput Virtual Screening Approach.
32893632 2020. In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins.
32907334 2020. Repurposing of FDA-Approved Toremifene to Treat COVID-19 by Blocking the Spike Glycoprotein and NSP14 of SARS-CoV-2.
32910920 2020. Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
32913273 2020. Humanized single domain antibodies neutralize SARS-CoV-2 by targeting the spike receptor binding domain.
32913581 2020. Unlocking COVID therapeutic targets: A structure-based rationale against SARS-CoV-2, SARS-CoV and MERS-CoV Spike.
32941780 2020. Therapeutic antibodies and fusion inhibitors targeting the spike protein of SARS-CoV-2.
32948116 2020. Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study.
32951007 2020. Targeting multiple epitopes on the spike protein: a new hope for COVID-19 antibody therapy.
32963228 2020. Receptor-binding domain-specific human neutralizing monoclonal antibodies against SARS-CoV and SARS-CoV-2.
32979436 2020. The structure-activity relationship of the interactions of SARS-CoV-2 spike glycoproteins with glucuronomannan and sulfated galactofucan from Saccharina japonica.
32984987 2020. Superiority of cilostazol among antiplatelet FDA-approved drugs against COVID 19 M(pro) and spike protein: Drug repurposing approach.
32987103 2020. Design of novel viral attachment inhibitors of the spike glycoprotein (S) of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) through virtual screening and dynamics.
32696720 2020. Antimalarial-agent artemisinin and derivatives portray more potent binding to Lys353 and Lys31-binding hotspots of SARS-CoV-2 spike protein than hydroxychloroquine: potential repurposing of artenimol for COVID-19.
33077899 2020. Rapid production of SARS-CoV-2 receptor binding domain (RBD) and spike specific monoclonal antibody CR3022 in Nicotiana benthamiana.
33083627 2020. Computer-aided drug design against spike glycoprotein of SARS-CoV-2 to aid COVID-19 treatment.
33103586 2020. High-throughput virtual screening of drug databanks for potential inhibitors of SARS-CoV-2 spike glycoprotein.
33110386 2020. Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study.
33118480 2020. Uncaria tomentosa (cat's claw): a promising herbal medicine against SARS-CoV-2/ACE-2 junction and SARS-CoV-2 spike protein based on molecular modeling.
C7685779 2020. An in silico LLPS perturbation approach in the design of a novel SARS-CoV-2 spike receptor-binding domain inhibitor.

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