Discovery of SARS-CoV-2 antiviral synergy between remdesivir and approved drugs in human lung cellsArticle Published on 2022-11-022022-11-15 Journal: Scientific Reports [Category] SARS, 치료제, [키워드] Antiviral antivirals approved drug caused clinical evaluation Combination Compound concentrations conducted COVID-19 drug Effect Efficacy epithelial cell line exonuclease global pandemic HCV hepatitis C human lung human lung cell identify inhibitor moderate morbidity Mortality NS5A pharmacokinetic profiles Protein Remdesivir SARS Coronavirus SARS-CoV-2 SARS-CoV-2 replication Support synergy the SARS-CoV-2 therapeutic treatment strategy virus [DOI] 10.1038/s41598-022-21034-5 PMC 바로가기
DeepLPI: a novel deep learning-based model for protein-ligand interaction prediction for drug repurposingArticle Published on 2022-10-282022-11-16 Journal: Scientific Reports [Category] 신약개발, [키워드] applied approved drug baseline CNN computational method COVID-19 dataset Davis downloaded drug-target interaction drugs Features high accuracy Interaction memory molecular patients predict protein-ligand interaction Research sequence target protein target protein sequence vector [DOI] 10.1038/s41598-022-23014-1 PMC 바로가기
Systematic Down-Selection of Repurposed Drug Candidates for COVID-19Article Published on 2022-10-062022-11-15 Journal: International Journal of Molecular Sciences [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료제, [키워드] applied approved drug average candidate claimed Compound compounds concern COVID COVID-19 COVID-19 pandemic CoviRx.org Critical curated database disease Diseases drug drug candidate drugs effective Efficacy and safety effort eight evaluate Healthcare system healthcare worker infections mechanism methodology pandemic Prevent provide repurposing Safe safety profile SARS-CoV-2 Scientific community Therapies treating COVID-19 Treatment treatments. Vaccine variants of concern variants of concern (VOC) [DOI] 10.3390/ijms231911851 PMC 바로가기
Antiviral Drugs Screening for Swine Acute Diarrhea Syndrome CoronavirusArticle Published on 2022-09-242022-11-15 Journal: International Journal of Molecular Sciences [Category] SARS, 신약개발, 치료제, [키워드] acute diarrhea alpha-coronavirus Antiviral antiviral drug antiviral drugs approved drug block viral entry caused Compound coronavirus coronavirus disease COVID-19 deaths develop dose-dependent manner drug drug library Drug screening drug screening. drugs Epidemics exhibiting FIVE Infection inhibit inhibitory effect medication outbreak public health responsible resulting SADS-CoV SARS-CoV-2 Screening syndrome threat Vaccine viral replication virus viruses was performed zoonotic [DOI] 10.3390/ijms231911250 PMC 바로가기
Identification of Drug Combination Therapies for SARS-CoV-2: A Molecular Dynamics Simulations ApproachArticle Published on 2022-09-092022-11-15 Journal: Drug design, development and therapy [Category] SARS, 신약개발, 치료제, [키워드] 3CL antiviral activity Antiviral treatment approved approved drug binding binding site carried caused Compound compounds conformational change coronavirus COVID-19 drug drug combination drug combinations Drug repurposing drug synergy Dynamics effective Efficacy enzyme Favipiravir identification in silico in vitro in vitro assays Infectious disease inhibitor inhibitory effect Ligand ligand docking M pro molecular Molecular dynamics simulation molecular dynamics simulations multiple binding sites. pandemic predicted protease Protein target Proteins provide reduced SARS-CoV-2 SARS-CoV-2 viral screened Simulation suggested synergism synergistic Toxicity Treatment treatments for COVID-19 virus [DOI] 10.2147/DDDT.S366423 PMC 바로가기
A computational approach to drug repurposing using graph neural networksResearch article Published on 2022-08-012022-10-05 Journal: Computers in biology and medicine [Category] Coronavirus, 신약개발, [키워드] approach approved drug approved drugs baseline complex interaction Computational pharmacology coronavirus disease COVID-19 database dataset Diseases drug drug repositioning Drug repurposing drugs Efficacy generate Genes Graph neural networks heterogeneous identify indication Link prediction majority predict predicted representing the disease Treatment [DOI] 10.1016/j.compbiomed.2022.105992 [Article Type] Research article
Saquinavir: From HIV to COVID-19 and Cancer Treatment사퀴나비르: HIV에서 COVID-19 및 암 치료까지Review Published on 2022-07-052022-09-11 Journal: Biomolecules [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] 3CLpro anticancer antivirals Apoptosis approval approved drug Cancer Cancer cells cancer treatment Cell changed clinical trial clinical trials Combination COVID-19 COVID-19 outbreak cytotoxicity disease drug Drug repurposing Effect Follow-up help HIV impede in silico in vitro in vivo increased survival Invasion lack mind Neuroblastoma pathway pharmacological promise protease Protease inhibitor Research saquinavir saquinavir. SARS-CoV-2 main protease shown tested the SARS-CoV-2 therapy translated Treatment virus [DOI] 10.3390/biom12070944 PMC 바로가기 [Article Type] Review
Identification of potential pan-coronavirus therapies using a computational drug repurposing platform계산 약물 재검사 플랫폼을 사용한 잠재적 팬-코로나 바이러스 요법의 식별Article Published on 2022-07-012022-08-31 Journal: Methods (San Diego, Calif.) [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] acute respiratory syndrome approach approved drug approved drugs artificial Artificial neural network causative agent clinical trials Computational drug coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 datasets disease disease outbreaks drug Drug mechanism Drug repurposing drugs effective facilitate Human identification Infectious disease infectious disease outbreak information mechanism mechanism of action methodology novel Outbreaks pandemic Pathways platform PPI PPI network predicted protein-protein interaction rapid response Replication respiratory SARS SARS-CoV seriously ill patients Severe acute respiratory syndrome therapeutic therapy Treatment Validity virus replication Virus replication. Zoonotic coronavirus [DOI] 10.1016/j.ymeth.2021.11.002 PMC 바로가기 [Article Type] Article
Drug repurposing for identification of potential spike inhibitors for SARS-CoV-2 using molecular docking and molecular dynamics simulations분자 도킹 및 분자 역학 시뮬레이션을 사용하여 SARS-CoV-2에 대한 잠재적 스파이크 억제제 식별을 위한 약물 용도 변경Article Published on 2022-07-012022-09-11 Journal: Methods (San Diego, Calif.) [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] ACE2 ACE2 receptor ADME administration Analysis angiotensin antiviral drugs approved drug Asthma average binding binding affinity candidate carried Compound COVID-19 COVID-19 pandemic COVID-19 treatment death develop docking drug Drug repurposing Efficacy estimates FIVE followed by free energy Hepatitis hepatitis C host cell hosts human Angiotensin-converting enzyme Human angiotensin-converting enzyme 2 identify Immunocompromised in silico Approach in vitro in vivo inhibitor Interaction leukotriene leukotriene receptor antagonist Ligand Lineage lineages membrane-bound molecular docking molecular dynamics Molecular dynamics simulation molecular dynamics simulations Multiple Multiple studies oral administration parameter plethora Protease inhibitor receptor antagonist recognize SARS-CoV-2 SARS-CoV-2 virus SARS‐CoV‐2 SARS‐CoV‐2. selected Simeprevir Spike protein Spike proteins tested the SARS-CoV-2 virus therapeutic treat Treatment variety virus WHO Zafirlukast [DOI] 10.1016/j.ymeth.2022.02.004 PMC 바로가기 [Article Type] Article
The Nucleoside/Nucleotide Analogs Tenofovir and Emtricitabine Are Inactive against SARS-CoV-2뉴클레오사이드/뉴클레오타이드 유사체 테노포비르와 엠트리시타빈은 SARS-CoV-2에 대해 비활성입니다Article Published on 2022-06-302022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] accelerated active site acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 antiviral activity antiviral agent Antiviral agents Antiviral effect approaches approved approved drug biochemical causative pathogen caution Cell clinicians and researcher Concentration coronavirus COVID-19 COVID-19 pandemic demonstrated Efficiency emtricitabine epithelial FTC HIV-1 HIV-1 NRTI human lung in vitro data inactive indicate inhibitor lack metabolite NHBE NTP nucleoside polymerase Prevent RdRP RdRp active site required reverse transcriptase RNA polymerase SARS-CoV-2 SARS-CoV-2 RNA severe acute respiratory syndrome Coronavirus TAF TDF tenofovir Tenofovir alafenamide tenofovir. the SARS-CoV-2 transcriptase treat unlikely [DOI] 10.3390/molecules27134212 PMC 바로가기 [Article Type] Article