De novo design of new chemical entities for SARS-CoV-2 using artificial intelligence인공 지능을 사용하여 SARS-CoV-2에 대한 새로운 화학 물질의 새로운 설계Research Article Published on 2021-02-162022-08-31 Journal: Future Medicinal Chemistry [Category] MERS, SARS, 신약개발, 치료제, [키워드] 3CL 3CL Protease affected artificial intelligence candidate Compound COVID-19 de novo deep learning Economy Final focus Health inhibiting material Multiple Multiple studies Novel coronavirus novel coronavirus SARS-CoV-2 physicochemical Predictive model protease protease inhibitors Protein reinforcement reinforcement learning SARS-CoV-2 small molecule Small molecules target protein transfer Virtual screening virus replication were used [DOI] 10.4155/fmc-2020-0262 PMC 바로가기 [Article Type] Research Article
A physicochemical model for rationalizing SARS-CoV-2 concentration in sewage. Case study: The city of Thessaloniki in Greece하수 내 SARS-CoV-2 농도를 합리화하기 위한 물리화학적 모델. 사례 연구: 그리스의 테살로니키 시Article Published on 2021-02-102022-09-11 Journal: The Science of the total environment [Category] SARS, 치료기술, [키워드] Adsorption Bacteria case study caused city Concentration Corona Corona virus correlation COVID-19 detection determine develop dissolved oxygen Epidemiology Factor Greece highest Hospital admission Hospital admissions inaccessible incidence mathematical metabolic activity modeling oxygen parameter physicochemical porous quantitative measurement researcher RNA SARS-CoV-2 sewage suspended solids symptomatic and asymptomatic Thessaloniki variables Viral virus Virus concentration rationalization wastewater Wastewater epidemiology. [DOI] 10.1016/j.scitotenv.2020.142855 PMC 바로가기 [Article Type] Article
In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19Molecular Biosciences Published on 2021-01-192022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] 6LU7 6M0J ACE2 acute respiratory syndrome antiviral action approach binding affinity binding free energy calculated Compound coronavirus COVID-19 Curcumin disease Diseases docking docking score Glide glycoprotein group inhibit inhibitors Ligand lowest molecular docking MPro natural offer pandemic coronavirus parameter PDB pharmacokinetic physicochemical Phytoconstituents plant Potential protocol RBD Receptor binding domain SARS-CoV-2 Screening spike spike (S) glycoprotein spike glycoprotein target the SARS-CoV-2 Treatment was used [DOI] 10.3389/fmolb.2020.599079 PMC 바로가기 [Article Type] Molecular Biosciences
A new perspective of the chemistry and kinetics of inactivation of COVID -19 coronavirus aerosolsPerspective Published on 2021-01-072022-10-31 Journal: Future Virology [Category] COVID-19, [키워드] aerosol Aerosols Analysis analysis approach coronavirus COVID COVID-19 described enveloped viruses extension healthcare inactivation inactivation kinetics inactivation reactor system indication lipid bilayer lipid bilayers mechanism molecular collisions parabolic optics Perspective physicochemical Promoting purified returned UV germicidal irradiation UV light viral envelope virus virus virus inactivation [DOI] 10.2217/fvl-2020-0326 PMC 바로가기 [Article Type] Perspective
Tutankhamun’s Antimalarial Drug for Covid-19투탕카멘의 코로나19 치료제Article Published on 2021-01-012022-09-11 Journal: Drug research [Category] 신약개발, 치료제, [키워드] antimalarial antimalarial drug Antimalarial drugs Antiviral antiviral activity approved drug approved drugs article cells choice condition contrary coronavirus current died drug drug candidate effort endosomal pH identify Increases infected with SARS-CoV-2 Interaction Laboratory malaria mechanism mechanism of action New coronavirus Nigella Sativa Nigella sativa - outbreak pandemic Patient Pharaoh physicochemical Predictive provide Research SARS-CoV-2 Side effects starting thymoquinone tomb treat Tutankhamun [DOI] 10.1055/a-1274-1264 PMC 바로가기 [Article Type] Article
In Silico Discovery of Antimicrobial Peptides as an Alternative to Control SARS-CoV-2SARS-CoV-2를 제어하는 대안으로서 항균성 펩티드의 실리코 발견Article Published on 2020-11-252022-09-10 Journal: Molecules [Category] SARS, 치료제, [키워드] ACE2 ACE2 receptor acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 AMP AMPs Analysis angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 antimicrobial antimicrobial peptide antimicrobial peptides antiviral properties antiviral property caused cellular receptor Control coronavirus database docking docking analysis drug effective Effectiveness experimental validation highest affinity host cell in silico in viral Infection Interaction investigated pandemic pathogenicity peptide peptides performed physicochemical Protein receptors respiratory S2 subunit SARS-CoV-2 screened selected severe acute respiratory syndrome Coronavirus Spike protein structural protein structural proteins subunit the SARS-CoV-2 therapeutic therapeutic strategy treat Viral Viral protein was reduced [DOI] 10.3390/molecules25235535 PMC 바로가기 [Article Type] Article
Integrated approaches to reveal mechanisms by which RNA viruses reprogram the cellular environmentRNA 바이러스가 세포 환경을 재프로그래밍하는 메커니즘을 밝히기 위한 통합 접근법Review Published on 2020-11-012022-09-11 Journal: Methods (San Diego, Calif.) [Category] SARS, 유전자 메커니즘, [키워드] acute respiratory illness acute respiratory illnesses AIDS approach biochemical Cancer cancers cellular complex contribute description Each favor feature functional genetic material hallmark host cells human disease human diseases infecting infections information Interaction International long-lasting mechanism multifunctional outbreak pathogen Pathogens physicochemical productive viral replication Proteins Reactions respiratory RNA RNA genome RNA genomes RNA virus RNA viruses storage T cell T cell lymphoma therapeutic targets threat Viral viral family viral RNA genome virus Virus-host interactions viruses [DOI] 10.1016/j.ymeth.2020.06.013 PMC 바로가기 [Article Type] Review
Existing highly accumulating lysosomotropic drugs with potential for repurposing to target COVID-19Short communication Published on 2020-10-012022-10-05 Journal: Biomedicine & pharmacotherapy = Biomédecine & phar [Category] SARS, 신약개발, 치료제, [키워드] a potassium ion channel in heart ACCdrug accumulation accumulate accumulating acid/base ionisation constant addition antiviral activity antiviral effects antivirals applied approach assessments available data C-C chemokine receptor type 5 CADcationic amphiphilic drug cationic amphiphilic drug CCR5C-C chemokine receptor type 5 cells clinical trial combating Compound Coronaviruses COVID-19 COVID-19 pandemic criteria disease displaying distribution coefficient of non-charged species of compound between octanol and water drug drug accumulation drugs endoplasmatic reticulum endosomal pathway endosome Endosomes ERendoplasmatic reticulum Evidence example help hERGhuman Ether-à-go-go-Related Gene highest human Ether-à-go-go-Related Gene identify in silico inherent interfere knowledge logPdistribution coefficient of non-charged species of compound between octanol and water lysosome Lysosomes membrane molecular outbreak Patient pharmacokinetic Phospholipidosis physicochemical pKaacid/base ionisation constant PLDphospholipidosis QSARquantitative structure activity relationship quantitative structure activity relationship Registered reported Spread Support tested Vdvolume of distribution viral infection volume of distribution [DOI] 10.1016/j.biopha.2020.110582 [Article Type] Short communication
Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)Article Published on 2020-05-122022-10-30 Journal: Molecules [Category] COVID-19, MERS, SARS, [키워드] ACE2 activity acute respiratory syndrome agent angiotensin-converting enzyme 2 approach binding energy block Camostat mesylate caused causes comparable Compound compounds coronavirus coronavirus 2 coronavirus disease COVID-19 death develop distribution docking drug design Environment enzyme facilitate feature greater Host host cells in silico Approach in vitro in vivo Infection inhibitor metabolism molecular molecular docking natural natural product physicochemical product protease Registered residue responsible restrict retained SARS-CoV-2 SARS-CoV-2 pathogenesis screened Screening serine 2 serine protease significant interaction Source Specy Structure target protein the disease three-dimensional structure TMPRSS2 Toxicity transmembrane turn Type viral particle virus were used [DOI] 10.3390/molecules25102271 PMC 바로가기 [Article Type] Article