Synthesis of Dihydrobenzofuro[3,2-b]chromenes as Potential 3CLpro Inhibitors of SARS-CoV-2: A Molecular Docking and Molecular Dynamics StudySARS-CoV-2의 잠재적인 3CLpro 억제제로서의 디하이드로벤조푸로[3,2-b]크로멘 합성: 분자 도킹 및 분자 역학 연구Article Published on 2022-04-202022-09-11 Journal: ChemMedChem [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CLpro 3CLpro inhibitors acute respiratory syndrome acute respiratory syndrome coronavirus approach Bioactivity bioinformatics caused chymotrypsin Clustering analysis Compound Control coronavirus Coronavirus replication COVID-19 cysteine cysteine protease derivatives drug target Dynamics enzyme flavonoid flavonoids fused fused flavonoids Health in-silico Infection inhibitor inhibitor N3 inhibitors life cycle MERS-CoV methodology Middle East Middle East respiratory syndrome Coronavirus molecular molecular docking molecular dynamics Molecular dynamics simulation molecular interaction pandemic Potential Protein raised respiratory syndrome coronavirus SARS-CoV SARS-CoV-2 severe acute respiratory syndrome Coronavirus synthesis therapeutic Toxicity unavailability viral life cycle [DOI] 10.1002/cmdc.202100782 PMC 바로가기 [Article Type] Article
Antimicrobial effects of microwave plasma-activated water with skin protective effect for novel disinfectants in pandemic era Research Published on 2022-04-082022-10-05 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 치료제, [키워드] addition antimicrobial Bacillus cereus can be used Cell cells Concentration Effect effective Effects Escherichia coli evaluated exhibited Factor global pandemic identify implication investigated pandemic era performed plasma problems produced protective effect Pseudomonas aeruginosa public health reactive reactive nitrogen Salmonella Typhimurium SARS-CoV-2 skin Staphylococcus aureus Support Toxicity viability [DOI] 10.1038/s41598-022-10009-1 [Article Type] Research
Characterization, in-silico, and in-vitro study of a new steroid derivative from Ophiocoma dentata as a potential treatment for COVID-19 Research Published on 2022-04-072022-10-05 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 신약개발, 임상, 치료법, 치료제, [키워드] Anti-inflammatory anti-inflammatory activity anti-inflammatory properties antiviral drug characterization component computer Concentration conducted COVID-19 curative demonstrated Efficacy evaluate exhibited fibroblast cells IC50 in-silico In-vitro inhibitor invertebrate investigation molecular docking plaque Potential treatment Red reduction SARS-CoV2 Standard Toxicity Virtual screening [DOI] 10.1038/s41598-022-09809-2 [Article Type] Research
Added to pre-existing inflammation, mRNA-lipid nanoparticles induce inflammation exacerbation (IE)Article Published on 2022-04-012023-07-07 Journal: Journal of controlled release : official journal o [Category] COVID19(2023년), [키워드] adverse effect Inflammation Lipid nanoparticle mRNA nanoparticle Toxicity [DOI] 10.1016/j.jconrel.2021.12.027 PMC 바로가기
Toxicity and Local Tolerance of a Novel Spike Protein RBD Vaccine Against SARS-CoV-2, Produced Using the C1 Thermothelomyces Heterothallica Protein Expression PlatformArticle Published on 2022-04-012023-07-09 Journal: Toxicologic pathology [Category] COVID19(2023년), [키워드] C1 COVID-19 Rabbits RBD Safety SARS-CoV-2 Thermothelomyces heterothallica Toxicity Vaccine [DOI] 10.1177/01926233221090518 PMC 바로가기
In silico analysis of the interactions of certain flavonoids with the receptor-binding domain of 2019 novel coronavirus and cellular proteases and their pharmacokinetic properties특정 플라보노이드와 2019년 신종 코로나바이러스 수용체 결합 도메인의 상호작용 및 세포성 프로테아제 및 이들의 약동학적 특성에 대한 실리코 분석Article Published on 2022-04-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 치료제, [키워드] 2019 2019 novel coronavirus 2019-nCoV acute respiratory syndrome coronavirus Analysis binding blood-brain barrier cathepsin B caused cellular protease cellular proteases Compound conducted coronavirus 2 coronavirus disease Coronavirus disease 2019 COVID-19 death drug-likeness eukaryotic cells evaluated FIVE flavonoid flavonoids gallate glycoprotein hepatotoxicity hydrogen Hydrogen bond inhibit Interaction interactions microorganism MM/PBSA molecular molecular docking molecular dynamics Molecular mechanics nCoV P-glycoprotein pharmacokinetic Protein Proteins RBD Receptor binding domain respiratory SARS-CoV-2 Serine serine protease severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 spike glycoprotein subgroup substrate supported surface area target proteins the receptor-binding domain TMPRSS2 Toxicity transmembrane serine protease transmembrane serine protease 2 Van [DOI] 10.1080/07391102.2020.1840444 PMC 바로가기 [Article Type] Article
Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computationsSARS-CoV-2 프로테아제 효소에 대한 잠재적 억제제로서의 메틸 β-D-갈락토피라노사이드 에스테르: 합성, 항균, PASS, 분자 도킹, 분자 역학 시뮬레이션 및 양자 계산Article Published on 2022-04-012022-09-11 Journal: Glycoconjugate journal [Category] Coronavirus, COVID19(2023년), SARS, 치료제, [키워드] activate active site activities aliphatic antimicrobial aromatic ASN142 AutoDock AutoDock vina Bacillus subtilis Bacteria binding affinities binding modes can be used chemical structures Combination Compound computation Concentration Cys145 demonstrated Density functional theory determine distribution docking drug-likeness drugs Efficacy electrostatic enthalpy Escherichia coli evaluated FIVE free energy fungal pathogens fungi Gly143 group His41 hydrogen Hydrogen bond in silico in vitro inhibitor inhibitory concentration Interaction kinetic MBC metabolism Methyl β-D-galactopyranoside MGP molecular molecular docking molecular dynamics Molecular dynamics simulation Pass Pathogens performed pharmacokinetic physicochemical protease residues SAR SARS-CoV-2 main protease SARS-CoV-2 protease SARS-CoV-2 protease. selected statistical analysis Strains Structure structure activity relationship sugar synthesis the binding affinity the SARS-CoV-2 theory THR26 Toxicity treated variety [DOI] 10.1007/s10719-021-10039-3 PMC 바로가기 [Article Type] Article
Repurposing of phytomedicine-derived bioactive compounds with promising anti-SARS-CoV-2 potential: Molecular docking, MD simulation and drug-likeness/ADMET studiesResearch article Published on 2022-04-012022-10-05 Journal: Saudi Journal of Biological Sciences [Category] 신약개발, [키워드] active against anti-SARS-CoV-2 approach binding mode Compound computational method COVID-19 database docking Drug repurposing effective Efficacy Enzymes in silico inhibitor inhibitory effect initial management MD simulation molecular docking molecular dynamics Molecular dynamics simulation MPro notable phytochemicals Phytomedicine PLPro polymerase protease RdRP repurposing SARS-CoV-2 SARS-COV-2 infection screened selected steroid therapeutic target Toxicity [DOI] 10.1016/j.sjbs.2021.12.018 [Article Type] Research article
Repurposing Multiple-Molecule Drugs for COVID-19-Associated Acute Respiratory Distress Syndrome and Non-Viral Acute Respiratory Distress Syndrome via a Systems Biology Approach and a DNN-DTI Model Based on Five Drug Design Specifications5가지 약물 설계 사양을 기반으로 하는 시스템 생물학 접근법 및 DNN-DTI 모델을 통한 COVID-19 관련 급성 호흡곤란 증후군 및 비바이러스성 급성 호흡곤란 증후군에 대한 다분자 약물 용도 변경Article Published on 2022-03-262022-09-11 Journal: International Journal of Molecular Sciences [Category] MERS, SARS, 바이오마커, 신약개발, 유전자 메커니즘, [키워드] acute respiratory distress acute respiratory distress syndrome advance AIC Akaike information criterion approach ARDS Biology Biomarker Biomarkers candidate drug candidate drugs clinical manifestation clinical manifestations convenience coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 patients COVID-19-associated ARDS criterion database deep neural network drug drug candidate drug design drug target drug-likeness drug-target DTI model Epidemic Epigenetic etiologic mechanism excretion False positive False positives Genetic help host-pathogen RNA-Seq data HPI-GWGEN information Interaction KEGG mechanism Mitigation Model morbidity morbidity and mortality non-viral ARDS Pathogenesis pathogenic pathophysiology pathway Pathways PNP predict predicted Regulation repurposing respiratory respiratory distress RNA sequencing SARS-CoV-2 sensitivity signaling pathway specification syndrome System Systems biology therapeutic option Therapeutic treatment Toxicity [DOI] 10.3390/ijms23073649 PMC 바로가기 [Article Type] Article
Antiviral Effects of Animal Toxins: Is There a Way to Drugs?동물 독소의 항바이러스 효과: 약물에 방법이 있습니까?Review Published on 2022-03-262022-09-11 Journal: International Journal of Molecular Sciences [Category] 치료제, [키워드] addition animal animal venom Antiviral antiviral activity antiviral drug antiviral drugs approach bee biological activity cells component Compound conducted COVID-19 pandemic Disadvantages Effect effective expected host cell host cells humans infect inhibit measure mechanism metabolic pathway metabolic pathways middle Organisms problem replicate scorpion snake spider Toxicity Treatment vaccination Vaccinations Viral diseases viral infection viral infections viral replication virus without affecting [DOI] 10.3390/ijms23073634 PMC 바로가기 [Article Type] Review