Combined deep learning and molecular docking simulations approach identifies potentially effective FDA approved drugs for repurposing against SARS-CoV-2Article Published on 2021-11-202023-06-15 Journal: Computers in biology and medicine [Category] COVID19(2023년), MERS, SARS, [키워드] binding affinity docking Drug repurposing machine learning SARS-CoV-2 [DOI] 10.1016/j.compbiomed.2021.105049 PMC 바로가기 [Article Type] Article
Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main proteaseChemistry Published on 2021-11-182022-10-29 Journal: Molecular Systems Design & Engineering [Category] COVID-19, [키워드] 3CL pro antiviral drug approach approved binding binding site clinical trials Compound compounds continuum country COVID-19 outbreak COVID-19 pandemic disease drug Drug discovery drug library Drug repurposing drugs emergency situation molecular Molecular dynamics simulation molnupiravir predicted protease provide Remdesivir researcher SARS-CoV-2 main protease solvent subset the SARS-CoV-2 the SARS-CoV-2 virus turn urgency was performed X-ray [DOI] 10.1039/d1me00124h PMC 바로가기 [Article Type] Chemistry
The Drug Repurposing for COVID-19 Clinical Trials Provide Very Effective Therapeutic Combinations: Lessons Learned From Major Clinical StudiesPharmacology Published on 2021-11-182022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] absence addition Anti-viral approved Baricitinib clinical clinical trial clinical trials combination therapy conducted contributing to Convalescent plasma therapy country COVID-19 COVID-19 patients Dexamethasone drug Drug repurposing evaluate evaluated Favipiravir Future Pandemics globe Hydroxychloroquine initiated interferons Ivermectin Lancet lesson Major medium NEJM Other outcome outcomes pandemic participated platform RECOVERY trials Registered Remdesivir repurposing required SARS-CoV-2 severely ill patients Spread study group suffered the SARS-CoV-2 therapeutic Therapeutic molecule therapy Tocilizumab treat Treatment Treatment experience Vaccine development WHO [DOI] 10.3389/fphar.2021.704205 PMC 바로가기 [Article Type] Pharmacology
Strategies to identify candidate repurposable drugs: COVID-19 treatment as a case example후보자 용도를 식별하기위한 전략 : 사례로서 Covid-19 치료Review Published on 2021-11-162022-08-31 Journal: Translational Psychiatry [Category] SARS, 신약개발, 임상, 진단, 치료제, [키워드] approach Bioinformatic Brain candidate drugs case study CNS complex connectivity COVID-19 COVID-19 pandemic disorders drug Drug repurposing drug therapies drugs example identify library machine-learning Map Molecular neuroscience Neurological disorder Neurological disorders Neuropsychiatric offer overcome Pharmacology promise Repository Research signature Strategy therapy treat Treatment [DOI] 10.1038/s41398-021-01724-w PMC 바로가기 [Article Type] Review
Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive OverviewReview Published on 2021-11-122022-10-28 Journal: Vaccines [Category] COVID-19, [키워드] acute respiratory syndrome applied approved clinical trials Comprehensive continuous monitoring Control coronavirus coronavirus disease COVID-19 COVID-19 pandemic drug Drug repurposing elicited Evolution global pandemic highlighting humans immune evasion immune response Intervention management modify mutated new strain outbreak pathogenicity Pharmaceutical interventions Pneumonia Prophylactic public health Repurposed drug repurposing respiratory respiratory tract infection resulting SARS-CoV-2 specific treatment therapeutic Vaccine Vaccines variant variants virus [DOI] 10.3390/vaccines9111317 PMC 바로가기 [Article Type] Review
Antiviral Potential of the Antimicrobial Drug Atovaquone against SARS-CoV-2 and Emerging Variants of ConcernSARS-CoV-2 및 우려되는 신흥 변종에 대한 항균 약물 Atovaquone의 항바이러스 가능성Article Published on 2021-11-122022-09-11 Journal: ACS Infectious Diseases [Category] SARS, 변종, 신약개발, 치료제, [키워드] ACE2 Administered Alpha antimicrobial Antiviral antiviral activity atovaquone atovaquone/proguanil Azithromycin benefit Beta Calu-3 Canada Cell culture cellular Chemoprophylaxis children clinical trial Combination Concentration concern coronavirus COVID-19 Delta variants dependent on disrupt drug Drug repurposing epithelial cells Evidence expressing expression FDA-approved drug human lung in vitro Infection inhibit initiated Interaction malaria malarone medication membrane fusion other variant other variants Patient Potential primary human airway proguanil receptor reduced Replication replication of SARS-CoV-2 retained Safe SARS-CoV-2 Spike protein the spike protein The United States TMPRSS2 trials United States variants virus while [DOI] 10.1021/acsinfecdis.1c00278 PMC 바로가기 [Article Type] Article
Identification of potential inhibitors of SARS-CoV-2 S protein–ACE2 interaction by in silico drug repurposingSilico 약물 용도로 SARS-COV-2 S 단백질 -ACE2 상호 작용의 잠재적 억제제 확인Research Article Published on 2021-11-112022-08-31 Journal: F1000Research [Category] MERS, SARS, 신약개발, [키워드] ACE2 acute respiratory syndrome acute respiratory syndrome coronavirus angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 approved Asthma Atypical pneumonia binding binding site cause chronic obstructive chronic obstructive pulmonary disease Compound coronavirus COVID-19 COVID-19 disease criteria death docking score drug Drug repurposing drugs targeting evaluate FDA fexofenadine formoterol Frequency generate host cell identification in silico in vitro in vivo Infection inhibitor inhibitors inhibitors of SARS-CoV-2 Interaction interaction site internalization ipratropium molecular docking Mortality New coronavirus obstructive pulmonary disease PDB PDB ID performed Pneumonia protein S pulmonary disease RBD receptor Receptor binding domain receptor site Replication reported Research residue respiratory respiratory infection S protein S1 subunit SARS-CoV-2 SARS-CoV-2 protein severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 specialist the S1 subunit therapy treat Treatment virus were used Wuhan Wuhan, China [DOI] 10.12688/f1000research.52168.2 PMC 바로가기 [Article Type] Research Article
Drug repurposing against SARS-CoV-1, SARS-CoV-2 and MERS-CoVSARS-CoV-1, SARS-CoV-2 및 MERS-CoV에 대한 약물 용도 변경Review Published on 2021-11-102022-09-10 Journal: Future Microbiology [Category] MERS, SARS, 신약개발, 치료제, [키워드] administration amodiaquine Antiviral antiviral activity approval Azithromycin Chloroquine Clinical studies Clofazimine Clofoctol coronavirus COVID-19 COVID-19 pandemic COVID-19 treatment drug drug candidate Drug repurposing drugs Favipiravir health emergency heparin Hydroxychloroquine in silico in vitro in vitro study in vitro testing International Ivermectin Medicine MERS-CoV molecular docking nelfinavir nitazoxanide oral administration reduced SARS-CoV-1 SARS-CoV-2 Toxicity Treatment [DOI] 10.2217/fmb-2021-0019 PMC 바로가기 [Article Type] Review
Inosine Pranobex Deserves Attention as a Potential Immunomodulator to Achieve Early Alteration of the COVID-19 Disease Course이노신 프라노 벡스는 COVID-19 질병 과정의 조기 변경을 달성하기위한 잠재적 면역 조절제로서의 주목할만한 가치가 있습니다.Review Published on 2021-11-092022-09-10 Journal: Viruses [Category] MERS, 신약개발, 임상, 치료제, [키워드] Administered Alter alteration Attention caused clinical trial collected combating Course COVID-19 cytomegalovirus drug Drug repurposing early treatment effort Epstein–Barr virus evaluated Evidence herpes simplex herpes simplex virus herpes zoster human papillomavirus immunomodulation immunomodulatory properties Infection Inosine inosine pranobex isoprinosine lymphopenia measles medication methisoprinol papillomavirus Pleiotropic effects Potential respiratory respiratory viruses SARS-CoV-2 Support the disease varicella Viral viral infections virus [DOI] 10.3390/v13112246 PMC 바로가기 [Article Type] Review
Machine learning and network medicine approaches for drug repositioning for COVID-19Article Published on 2021-11-092022-10-04 Journal: Patterns [Category] 신약개발, 치료제, [키워드] Abstract Algorithm antiviral drugs approach broad-spectrum antiviral broad-spectrum antivirals cellular processe Clinical use compassionate use complementary connectivity COVID-19 developmental drug Drug repurposing Effectiveness experiment explorer Factors FDA-approved drug graph graph visualization Host host protein hypothese Hypothesis IMPROVE include indicated induce information kernels on graphs machine machine learning approach Map methodology network medicine non-negative matrix factorization online tool Perturbation pharmacological predict predicted Protein reduced SARS- CoV-2 SARS-CoV-2 significantly transcriptomics Treatment viral disease while [DOI] 10.1016/j.patter.2021.100396 PMC 바로가기 [Article Type] Article