Artificial Neural Network-Based Study Predicts GS-441524 as a Potential Inhibitor of SARS-CoV-2 Activator Protein Furin: a Polypharmacology ApproachArticle Published on 2022-10-012022-11-15 Journal: Applied biochemistry and biotechnology [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] activator ANN Antiviral antiviral drug antivirals artificial Bacterial Bacterial infection Cancer caused Compound COVID-19 diabetes DNA drug Drug repurposing ENhance FCGR1A FDA furin furin cleavage site Grazoprevir GS-441524 help human protein inhibit inhibiting inhibitor inhibitors LB-VS LDLR mammalian MK-5172 network pharmacology Neural Neurological disorders pandemic Patient PCK1 PNP polybasic Polypharmacology Potential researcher SARS-CoV-2 SB-VS searched SOM. substrate target the spike protein TLR7 turn Virtual screening virus [DOI] 10.1007/s12010-022-03928-2 PMC 바로가기
Utilizing clinical pharmacology in the drug repurposing arena: a look into COVID-19Review Published on 2022-10-012023-07-10 Journal: Expert review of clinical pharmacology [Category] COVID19(2023년), [키워드] clinical pharmacology COVID-19 Drug repurposing patient-oriented precision medicine [DOI] 10.1080/17512433.2022.2132226 [Article Type] Review
Repurposing of FDA approved drugs and their validation against potential drug targets for Salmonella enterica through molecular dynamics simulationArticle Published on 2022-09-302024-09-07 Journal: J Biomol Struct Dyn [Category] 살모넬라증, [키워드] docking Drug repurposing Molecular dynamics simulation Salmonella salmonellosis PMC 바로가기
New possibilities for chromoblastomycosis and phaeohyphomycosis treatment: identification of two compounds from the MMV Pathogen Box ® that present synergism with itraconazole크로모블라스토마이코시스 및 파에오하이포마이코시스 치료를 위한 새로운 가능성: 이트라코나졸과 시너지 효과를 나타내는 MMV 병원체 박스 ®에서 두 화합물의 식별Article Published on 2022-09-122024-08-01 Journal: WHO Chron [Category] 말라리아, [키워드] Drug repurposing Exophiala Fonsecaea itraconazole Pathogen Box synergism [DOI] 10.1590/0074-02760220089 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 comprehensive review of artificial intelligence and network based approaches to drug repurposing in Covid-19Review Published on 2022-09-012022-10-04 Journal: Biomedicine & pharmacotherapy = Biomédecine & phar [Category] 변종, 신약개발, 임상, 치료제, [키워드] AI on networks Analysis approach attrition rates Conventional de novo deep deep learning diffusion Diseases drug Drug discovery Drug repurposing effective Interaction limitation machine machine learning mitigate network network analysis Network diffusion Network proximity platform previous study recommendation required risk shown threat variety [DOI] 10.1016/j.biopha.2022.113350 PMC 바로가기 [Article Type] Review
In silico drug repurposing against SARS-CoV-2 using an integrative transcriptomic profiling approach: Hydrocortisone and Benzhydrocodone as potential drug candidates against COVID-19통합 전사체 프로파일링 접근법을 사용하여 SARS-CoV-2에 대한 인실리코 약물 용도 변경: COVID-19에 대한 잠재적 약물 후보로서 히드로코르티손 및 벤즈히드로코돈Article Published on 2022-09-012022-09-11 Journal: Infection, genetics and evolution : journal of mol [Category] COVID19(2023년), SARS, 변종, 신약개발, 유전자 메커니즘, 치료제, [키워드] ADAR alveolar cell Analysis Anti-viral antiviral immune response Benzhydrocodone binding affinity CASP1 cellular response Cellular responses Clinical studies clinical study complementary COVID-19 COVID-19 pathogenesis determine drug drug candidate Drug repurposing dysregulated enrichment enrichment analysis evaluated FDA-approved drug FOS hallmark HBEGF Host Hydrocortisone ICAM1 identify IFI35 immune system in silico in silico approaches in viral in vitro in vivo experiment infected with SARS-CoV-2 Infectious disease involved IRF2 JUN management MMP9 molecular molecular docking Pathogenesis pathway Pathways promise Protein protein-protein interaction Proteins Repurposed drug Repurposed drugs SARS-CoV-2 SARS-COV-2 infection Signal transduction STAT3 subject suggested transcriptomic transcriptomic profile transcriptomics up-regulated USP18 viral infectious disease [DOI] 10.1016/j.meegid.2022.105318 PMC 바로가기 [Article Type] Article
Molecular dynamics studies reveal structural and functional features of the SARS-CoV-2 spike protein분자 역학 연구는 SARS-CoV-2 스파이크 단백질의 구조적 및 기능적 특징을 보여줍니다Review Published on 2022-09-012022-09-11 Journal: Bioessays [Category] COVID19(2023년), SARS, 변종, 신약개발, [키워드] approach atomic level Cell Computational approaches conformational changes COVID-19 pandemic Drug repurposing effort epitope Epitopes feature functional glycans Infection Invasion molecular molecular dynamics Perspective Protein responsible S protein SARS-CoV-2 SARS-CoV-2 virus Scientific community Spike protein the SARS-CoV-2 the spike protein variant variants [DOI] 10.1002/bies.202200060 PMC 바로가기 [Article Type] Review
Hydroxypropyl-beta-cyclodextrin (HP-BCD) inhibits SARS-CoV-2 replication and virus-induced inflammatory cytokines하이드록시프로필-베타-사이클로덱스트린(HP-BCD)은 SARS-CoV-2 복제 및 바이러스 유발 염증성 사이토카인을 억제합니다Article Published on 2022-09-012022-09-11 Journal: Antiviral Research [Category] COVID19(2023년), SARS, 변종, 신약개발, [키워드] accompanied ACE2 Affect affected Alter antiviral activity Beta Beta-cyclodextrin Calu Calu-3 Cell cell line cell lines cholesterol COVID-19 COVID-19 disease cyclodextrin Cytokines cytopathic effects demonstrated disease drug Drug repurposing evidenced excipient experimental models expression Human Hyperinflammatory syndrome immunomodulatory effect in vitro in vivo Inflammation Inflammatory cytokine Inflammatory response inhibit inhibited inhibiting investigated microbial products mitigate Monocytes Particles pathophysiology primary human cells Proinflammatory cytokine proinflammatory cytokines protein levels reducing reduction in Replication replication complexes required Respiratory system safety profile SARS-CoV-2 SARS-CoV-2 replication SARS-CoV-2 variant SARS-CoV-2 variants SARS-CoV2 selected selective significantly systemic manifestations the disease therapeutic therapeutic agent therapeutic strategy These data treating Treatment viral cytopathic effect virus virus replication virus RNA [DOI] 10.1016/j.antiviral.2022.105373 PMC 바로가기 [Article Type] Article
Inhibition of SARS-CoV-2 main protease: a repurposing study that targets the dimer interface of the proteinSARS-CoV-2 주요 프로테아제의 억제: 단백질의 이량체 계면을 표적으로 하는 용도 변경 연구Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 신약개발, [키워드] binding energy catalytic dyad catalytically change characterized conformational coronavirus disease coronavirus disease-2019 COVID-19 crystal structure crystal structures Diosmin displaying Drug repurposing DrugBank database elicited eluxadoline Glu166 homodimer inhibition inhibitor inhibitors lethality rate Local M pro main protease modulated molecular molecular dynamics Molecular dynamics simulation molecular dynamics simulations novel target site. pandemic performed positive prominence Prophylaxis protease Protein reported residue SARS-CoV-2 Ser1 Simulation Spread target Therapeutics Trajectories trajectory Treatment Virtual screening Wuhan Wuhan, China Zinc [DOI] 10.1080/07391102.2021.1910571 PMC 바로가기 [Article Type] Article