Bioinformatic study to discover natural molecules with activity against COVID-19Research Article Published on 2020-10-062022-10-31 Journal: F1000Research [Category] COVID-19, MERS, SARS, [키워드] acute respiratory syndrome affecting Bioinformatic bioinformatics China coronavirus coronavirus disease COVID-19 COVID-19 disease database disease drug drug candidate effective globe high throughput virtual screening Human inhibitory molecular docking Molecular docking study ramipril reported SARS-CoV-2 screened Spread the disease Treatment World Health Organization Zinc [DOI] 10.12688/f1000research.26731.1 PMC 바로가기 [Article Type] Research Article
The C-C Chemokine Receptor Type 4 Is an Immunomodulatory Target of HydroxychloroquinePharmacology Published on 2020-08-282022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] acute respiratory syndrome antagonist approach autoimmune conditions binding CCR4 Characteristics characterized Chemokine receptor China clinical trial coronavirus COVID-19 COVID-19 patient COVID-19 treatment death demonstrated FDA-approved drug global pandemic Hydroxychloroquine immunomodulation immunomodulatory immunomodulatory activity in silico in vitro Inflammatory interact International involved Ligand malaria Molecular docking study patients potential therapy public health QT prolongation reported Result rheumatoid arthritis risk SARS-CoV-2 SEA similarity subject target therapeutic use Treatment Type Vaccine was selected World Health Organization [DOI] 10.3389/fphar.2020.01253 PMC 바로가기 [Article Type] Pharmacology
Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor (NNRTI) efavirenzArticle Published on 2020-08-112022-10-31 Journal: Heliyon [Category] COVID-19, [키워드] acute respiratory syndrome approved calculated Compound compounds coronavirus COVID-19 COVID-19 disease COVID-19 infection docking drug-likeness efavirenz FDA FDA approved drug FIVE functional highest HIS163 His41 HIV inhibitor interacting residue Interaction lowest molecular Molecular docking study NNRTI performed pharmaceutical Pharmaceutical chemistry Phe140 podophyllotoxin protease protease inhibitors SARS-CoV-2 selected Theoretical chemistry transcriptase treat Virtual screening virus worldwide pandemic [DOI] 10.1016/j.heliyon.2020.e04642 PMC 바로가기 [Article Type] Article
Network Pharmacology Integrated Molecular Docking Reveals the Mechanism of Anisodamine Hydrobromide Injection against Novel Coronavirus PneumoniaResearch Article Published on 2020-08-052022-10-31 Journal: Evidence-based Complementary and Alternative Medicine : eCAM [Category] COVID-19, [키워드] ACE2 acute respiratory syndrome Analysis analyzed angiotensin-converting enzyme 2 Anisodamine Cancer caused cell death China coronavirus COVID-19 Cytoscape disease Gene ontology immune system immune system diseases IMPROVE in viral infections ingredient injection Interaction interactions Intersection investigated KEGG material mechanism of action molecular docking Molecular docking study network novel coronavirus pneumonia Ontology outbreak parameters pathway pathway enrichment patients with COVID-19 performed pharmacological Pharmacology Protein Protein target Proteins provide regulate Result SARS-CoV-2 screened signaling pathways STRING database target targets tested therapeutic target were used with COVID-19 Wuhan, China [DOI] 10.1155/2020/5818107 PMC 바로가기 [Article Type] Research Article
COVID-19: Rational discovery of the therapeutic potential of Melatonin as a SARS-CoV-2 main Protease InhibitorResearch Paper Published on 2020-07-302022-10-29 Journal: International Journal of Medical Sciences [Category] COVID-19, MERS, SARS, [키워드] ACE-2 addition angiotensin-converting enzyme 2 Anti-inflammatory antiviral activity binding site carried Cell clinical trials complexes Compound conserved coronavirus COVID-19 described disease disorder docking docking study early stage Effect Efficacy enzyme evaluated globe hospital hyper-inflammation identify immunomodulatory in silico inhibitor inhibitors Interaction Ligand maintain melatonin Molecular docking study mortality rate MPro oxidative stress pandemic PDB pharmacological Protein Data Bank raised rational design reduce SARS-CoV-2 SARS-CoV-2 main protease Sepsis similarity Spread Stage the cytokine storm the disease therapeutic potential Treatment WHO World Health Organization [DOI] 10.7150/ijms.48053 PMC 바로가기 [Article Type] Research Paper
Employing bioactive compounds derived from Ipomoea obscura (L.) to evaluate potential inhibitor for SARS‐CoV‐2 main protease and ACE2 proteinResearch Article Published on 2020-07-062022-10-31 Journal: Food Frontiers [Category] COVID-19, [키워드] Ipomoea Obscura (L.) ACE2 ACE2 protein ADME Analysis angiotensin converting enzyme Antiviral effect Compound determine evaluate exhibit GC‐MS Genome host cell host cells inhibitor inhibitory activity involved Ipomoea molecular docking Molecular docking study Pro protease Replication Result SARS‐CoV‐2 SARS‐CoV‐2 suggested target protein target proteins viral genome viral replication [DOI] 10.1002/fft2.29 PMC 바로가기 [Article Type] Research Article