Electrochemical immunosensors using electrodeposited gold nanostructures for detecting the S proteins from SARS-CoV and SARS-CoV-2SARS-CoV 및 SARS-CoV-2에서 S 단백질을 검출하기 위해 전기도금된 금 나노구조를 사용하는 전기화학적 면역센서Article Published on 2022-07-012022-09-11 Journal: Analytical and bioanalytical chemistry [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] amperometry Analysis antibody capture carbon carried Complete Device Diagnosis electrode Features gold Gold nanoparticles group immunosensor Ion limit of detection MAA mercaptoacetic acid monolayer point-of-care proof proof of concept Protein protocol reduction S protein S proteins Saliva SAM SARS-CoV SARS-CoV-2 selectivity sensitivity target protein target proteins the S protein Volume was performed was tested [DOI] 10.1007/s00216-022-03956-1 PMC 바로가기 [Article Type] Article
PROTACs: great opportunities for academia and industry (an update from 2020 to 2021) Reviews Published on 2022-06-092022-10-05 Journal: Signal Transduction and Targeted Therapy [Category] 치료제, [키워드] addition Cancer catalytic Chimera Clinical treatment Compound Degradation disease Diseases immune disorders increase in induce introduced knockdown molecular neurodegenerative problem Protein rapid increase reported Research researcher small molecule target target protein unique viral infections [DOI] 10.1038/s41392-022-00999-9 [Article Type] Reviews
In silico study of potential antiviral activity of copper(II) complexes with non-steroidal anti-inflammatory drugs on various SARS-CoV-2 target proteins다양한 SARS-CoV-2 표적 단백질에 대한 비스테로이드성 항염증제와 구리(II) 복합체의 잠재적 항바이러스 활성에 대한 실리코 연구Article Published on 2022-06-012022-09-11 Journal: Journal of inorganic biochemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] 3C–like cysteine main protease antiviral activity Antiviral agents biological activity Cancer cell line clonixin complex complexes copper coronavirus 2 Coronavirus 2019 COVID-19 cysteine cytotoxic cytotoxic activity distribution drug-likeness evaluated fenoprofen FIVE ibuprofen in silico in silico predictive tools. in vitro ligands loxoprofen M pro metabolism molecular docking studies non-steroidal anti-inflammatory drug Non-steroidal anti-inflammatory drugs non-structural protein non-structural proteins nsp10 Nsp16–Nsp10 2′–O–methyltransferase complex Nsps pandemic Papain-like protease Papain–like protease performed pharmacokinetic pharmacokinetic data physicochemical PLPro Predictive protease Protein RdRP respiratory RNA RNA-dependent RNA polymerase RNA–dependent RNA polymerase SARS-CoV-2 SARS–CoV–2 target proteins Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus silico predictions target protein target proteins therapeutic target Toxicity [DOI] 10.1016/j.jinorgbio.2022.111805 PMC 바로가기 [Article Type] Article
Molecular docking-assisted investigation of Pd(II) complexes carrying “SNS” pincer-type pyridine-thioether ligand as potential drug candidates against COVID-19Research article Published on 2022-06-012022-10-05 Journal: Computers in biology and medicine [Category] COVID19(2023년), SARS, 치료제, [키워드] Analysis atomic level binding binding affinity binding energy biochemical characterized complexes Compound coronavirus coronavirus 2 coronavirus disease COVID-19 defined docking drug candidate effective Efficiency Examining exhibit exhibited highest in silico Interaction Ligand metal complexes molecular docking NMR pandemic Pincer produced protease Protein provide public health RdRP respiratory RNA SARS-CoV-2 SARS-CoV-2 proteins Structure supported target protein targets the SARS-CoV-2 visual method [DOI] 10.1016/j.compbiomed.2022.105512 [Article Type] Research article
Molecular docking analysis reveals the functional inhibitory effect of Genistein and Quercetin on TMPRSS2: SARS-COV-2 cell entry facilitator spike protein분자 도킹 분석을 통해 TMPRSS2: SARS-COV-2 세포 진입 촉진제 스파이크 단백질에 대한 제니스테인 및 퀘르세틴의 기능적 억제 효과가 나타남Article Published on 2022-05-162022-09-11 Journal: BMC Bioinformatics [Category] COVID19(2023년), SARS, 치료제, [키워드] active site Analysis Anti-viral binding binding affinity binding free energy binding pocket Bioinformatics tools catalytic catalytic site cell entry Combination complex Compound compounds conformational coronavirus spike protein Critical docked docking docking analysis dynamic Efficacy exhibit form free energy functional Genistein host cell human cell hydrogen Hydrogen bond hydrophilic hydrophobic identify Infection inhibit inhibitory effect Innate immunity Interaction Medicines molecular docking molecular docking analysis molecular dynamic simulations molecular dynamics Molecular dynamics simulation performed Phyto compounds Prevent priming Protein proteolytic cleavage quercetin receptor ACE2 reduce residue reveal SARS-CoV-2 coronavirus SARS-COV-2 infection Schrodinger screened selected Serine serine protease Simulation Spike protein stable complex subsequent target target protein the spike protein therapeutic target TMPRSS TMPRSS2 transmembrane glycoprotein transmembrane serine protease transmembrane serine protease 2 type I type I transmembrane glycoprotein Vaccine virus weak interaction [DOI] 10.1186/s12859-022-04724-9 PMC 바로가기 [Article Type] Article
D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19D3AI-CoV: 약물 표적 예측 및 COVID-19에 대한 가상 스크리닝을 위한 딥 러닝 플랫폼Article Published on 2022-05-132022-09-11 Journal: Briefings in Bioinformatics [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] approach AUC characteristic composed Compound computer-aided drug design COVID-19 COVID-19 treatment cycle D3AI-CoV deep learning Drug discovery Drug repurposing Drug screening drug target DrugBank drugs effective drug IMPROVE inactive independent mechanism online tool platform powerful tool Predictive receiver receiver operating characteristic reported target target prediction target protein Treatment Virtual screening web application [DOI] 10.1093/bib/bbac147 PMC 바로가기 [Article Type] Article
In silico screening predicts common cold drug Dextromethorphan along with Prednisolone and Dexamethasone can be effective against novel Coronavirus disease (COVID-19)Article Published on 2022-05-012022-10-04 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 신약개발, [키워드] 6LU7 Analysis caused common cold Coronavirus disease 2019 Coronavirus main protease (Mpro) COVID-19 Dexamethasone Dextromethorphan disease docking drug effective Efficacy human-to-human transmission less M pro MERS mortality rate Numerous outbreak patients PDB ID predict Prednisolone protease repurposing researcher synergistic target protein therapy Viral diseases virus [DOI] 10.1080/07391102.2020.1850528 PMC 바로가기 [Article Type] Article
Docking Analysis of Some Bioactive Compounds from Traditional Plants against SARS-CoV-2 Target ProteinsSARS-CoV-2 표적 단백질에 대한 전통적인 식물의 일부 생리 활성 화합물의 도킹 분석Article Published on 2022-04-202022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] Absorption binding affinity binding energy binding site bioactive compounds caffeic acid Cepharanthine Chimera Compound COVID-19 COVID-19 patients Curcumin cytochrome P450 Cytochrome P450 enzymes demonstrated docked drug-likeness exhibited Express expressed flavin global pandemic inhibited inhibiting inhibitor inhibitors inhibitory effect introduced Ligand ligands Medicine molecular molecular docking Multidrug resistance Papain Papain-like protease pharmacokinetic plant plants PLPro predicted prediction protease Protein protocol Quinine RdRP required Research Result RNA RNA dependent RNA polymerase RNA polymerase rule S-protein SARS-CoV-2 Spike protein suggested target target protein target proteins tested the disease theaflavin these compound these compounds Traditional traditional plants. treating COVID-19 patient Treatment viral spike protein Withaferin A [DOI] 10.3390/molecules27092662 PMC 바로가기 [Article Type] Article
Computational prediction of the molecular mechanism of statin group of drugs against SARS-CoV-2 pathogenesisSARS-CoV-2 병인에 대한 약물의 스타틴 그룹의 분자 메커니즘의 컴퓨터 예측Article Published on 2022-04-142022-09-11 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 변종, 유전자 메커니즘, 치료제, [키워드] antiviral efficacy binding affinity Clinical data Clinical outcome complex computational analysis contribute COVID-19 patient COVID-19 patients Critical Delta docking docking score docking tool drug fluvastatin functional protein Helicase highest affinity indicated inhibit SARS-CoV-2 mechanism molecular dynamics Molecular dynamics simulation molecular mechanism Mortality mutant mutant proteins mutants Pathogenesis performed pitavastatin predict protease Protein protein complex Proteins reduction in risk RNA polymerase RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2 pathogenesis Spike proteins spike variants statin statins target protein target proteins the Spike therapy VOCs wild type [DOI] 10.1038/s41598-022-09845-y PMC 바로가기 [Article Type] Article
Preclinical In Silico Evidence Indicates the Pharmacological Targets and Mechanisms of Mogroside V in Patients With Ovarian Cancer and Coronavirus Disease 20192019년 난소암 및 코로나바이러스 질환 환자에서 모그로사이드 V의 약리학적 표적 및 메커니즘을 나타내는 전임상 인 실리코 증거Article Published on 2022-04-062022-09-11 Journal: Frontiers in Endocrinology [Category] COVID19(2023년), SARS, 변종, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 anticancer biological processe China clinical clinical observations coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19-related death docking drug target Effects endothelial enrichment analysis growth factor Hsp90 HSP90AA1 IL2 indicated ingredient Injury mechanism medication Mitigation Mogroside mogroside V molecular docking network pharmacology observation ovarian ovarian cancer pathway Pathways Patient Preclinical preclinical report PRKCA PRKCB reduce remedial targets. reported SARS-CoV-2 Siraitia STAT3 suggested target target protein targets therapeutic therapeutic agent therapeutic efficacy TLR7 TLR9 Transmission Vaccine variant Vascular VEGFA with COVID-19 [DOI] 10.3389/fendo.2022.845404 PMC 바로가기 [Article Type] Article