Synthesis of new Spiropyrazole derivatives under microwaves irradiation and docking study for inhibition the microbes and COVID-19Research article Published on 2022-12-012022-10-05 Journal: Journal of Molecular Structure [Category] 치료제, [키워드] 6LU7 addition analysis antimicrobial Antiviral binding Candida albican Complete Complexes COVID-19 derivative derivatives docking docking score docking study domain Effectiveness Hydrazonoyl halides indicated inhibit Interaction Laboratory microbe microwave Microwaves physicochemical property protease Seven Spiropyrazoles synthesis tested these compound with COVID-19 [DOI] 10.1016/j.molstruc.2022.133581 [Article Type] Research article
Novel hit of DPP-4Is as promising antihyperglycemic agents with dual antioxidant/anti-inflammatory effects for type 2 diabetes with/without COVID-19Research article Published on 2022-11-012022-10-05 Journal: Bioorganic chemistry [Category] SARS, 신약개발, [키워드] activities activity addition Anti-inflammatory antioxidant Cell Co-receptor consequence COVID-19 CRP derivatives DPPH Effect evaluated IL-6 infections molecular docking not correlated novel OGT Patient Pyrimidinones question raised SARS-CoV-2 screened small molecule drug tested therapy Treatment type 2 diabete type 2 diabetes [DOI] 10.1016/j.bioorg.2022.106092 [Article Type] Research article
SARS-CoV-2 Papain-Like Protease: Structure, Function and InhibitionArticle Published on 2022-10-062022-11-15 Journal: Chembiochem [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] antiviral agent antiviral immune response antivirals coronavirus COVID-19 derivatives Epidemic function Host immune response immune immune response in viral inhibition involved ISG15 less MERS-CoV motif other coronaviruses Papain-like protease posttranslational modifications protease protease inhibitors protease inhibitors. Replication SARS-CoV-1 SARS-CoV-2 Structure targets variants of concern variants of SARS-CoV-2 Viral protein [DOI] 10.1002/cbic.202200327 PMC 바로가기
New Chemicals Suppressing SARS-CoV-2 Replication in Cell CultureArticle Published on 2022-09-052022-11-15 Journal: Molecules [Category] SARS, 치료제, [키워드] antiviral drug binding calculated candidate Cell Cell culture Chemical Compound coronavirus cytotoxicity database derivatives develop docked docking EC50 value experiment experiments inhibit SARS-CoV-2 inhibitor inhibitors Ligand main protease molecular MPro New protease protein-ligand quantum chemistry. Replication SARS-CoV-2 SARS-CoV-2 replication selected Selection Seven solvent state suppressed Suppressing the SARS-CoV-2 university Vero E6 [DOI] 10.3390/molecules27175732 PMC 바로가기
In Silico Evaluation of Sesquiterpenes and Benzoxazinoids Phytotoxins against Mpro, RNA Replicase and Spike Protein of SARS-CoV-2 by Molecular Dynamics. Inspired by NatureArticle Published on 2022-08-292022-11-15 Journal: Toxins [Category] SARS, 치료제, [키워드] active against added addition Analysis antiviral activities benzoxazinoid calculated candidate complex complexes Compound COVID-19 derivative derivatives described docking docking score Dynamics ENhance evaluated fluctuation generate Hydrogen bond in silico interactions kinetic M pro molecular molecular docking molecular dynamics MPro Nature Phytotoxin protease Protein protein-ligand replicase RMSD RNA SARS-CoV-2 selected Sesquiterpene sesquiterpene. shown spike spike glycoprotein Spike protein stability tested the spike protein virus were assessed [DOI] 10.3390/toxins14090599 PMC 바로가기
Quinolizidines as Novel SARS-CoV-2 Entry InhibitorsArticle Published on 2022-08-252022-11-15 Journal: International Journal of Molecular Sciences [Category] SARS, 변종, 치료제, [키워드] active against acute respiratory syndrome aloperine aloperine derivatives. anti-SARS-CoV-2 Antiviral compound can be used caused Cell Compound confocal microscopy Coronavirus-2 COVID-19 D614G variant Delta derivative derivatives develop entry inhibitors entry of SARS-CoV-2 host cells Influenza virus inhibit inhibited membrane novel omicron outbreak pandemic Result SARS-CoV-2 SARS-CoV-2 inhibitor SARS-CoV-2 variant Spread tested viral entry virus viruses [DOI] 10.3390/ijms23179659 PMC 바로가기
Identification of 1,2,3-triazole-phthalimide derivatives as potential drugs against COVID-19: a virtual screening, docking and molecular dynamic studyCOVID-19에 대한 잠재적 약물로서의 1,2,3-트리아졸-프탈이미드 유도체 식별: 가상 스크리닝, 도킹 및 분자 역학 연구Article Published on 2022-08-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료법, [키워드] 123-triazole addition AMES test Analysis Antiviral be positive binding energy calculated complex Compound derivative derivatives docking drug drug candidate drug candidates E35 energy balance exhibited filtered hepatotoxic identification identify in silico inhibitory Interaction investigated M pro MD simulation molecular molecular docking Nucleocapsid proteins other compound other compounds pharmacokinetic phthalimide phthalimide. positive Predictive Prophylaxis protease SARS-CoV-2 SARS-CoV-2 main protease selected target protein target proteins Toxicity toxicity test Treatment triazole Virtual screening [DOI] 10.1080/07391102.2020.1871073 PMC 바로가기 [Article Type] Article
Metallomic and Untargeted Metabolomic Signatures of Human Milk from SARS-CoV-2 Positive MothersObservational Study Published on 2022-08-012022-10-05 Journal: Molecular nutrition & food research [Category] COVID19(2023년), SARS, 임상, [키워드] acute respiratory syndrome alcohols Aluminium amino acids Aminoacyl-tRNA Concentration conducted Conjugates control group coronavirus COVID-19 derivatives difference element elements Fatty acid Health Human human milk implication increase Infection information metabolite metabolomic metabolomics metabolomics. milk mother pathway peptides plasma positive profile provide purine quantification recorded reduce Research SARS-CoV-2 SARS-CoV-2 antibody SARS-COV-2 infection signature significantly symptomatic and asymptomatic tyrosine unique with COVID-19 [DOI] 10.1002/mnfr.202200071 PMC 바로가기 [Article Type] Observational Study
Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main proteaseSARS-CoV-2 주요 프로테아제의 공유 결합제로서의 C형 간염 바이러스 NS3/4A 억제제 및 기타 약물 유사 화합물Article Published on 2022-07-162022-09-11 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료제, [키워드] 3CL pro active site Antiviral antiviral inhibitor approved binding catalytic cause clinical trials clinically Compound compounds coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 therapeutics Cys145 derivative derivatives drug drug target Evidence global public health hepatitis C hepatitis C virus higher affinity inhibitor M pro maturation molecular docking studies Molecular docking study pandemic polyproteins protease Protein residue SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 main protease Severe acute respiratory syndrome Spread the SARS-CoV-2 genome Vaccine variants virus [DOI] 10.1038/s41598-022-15930-z PMC 바로가기 [Article Type] Article
In Silico Virtual Screening of Marine Aldehyde Derivatives from Seaweeds against SARS-CoV-2SARS-CoV-2에 대한 해조류의 해양 알데히드 유도체의 실리코 가상 스크리닝Article Published on 2022-06-162022-09-11 Journal: Marine Drugs [Category] COVID19(2023년), SARS, 치료제, [키워드] 3-hydroxybenzaldehyde 3,4-dihydroxybenzaldehyde 4-hydroxybenzaldehyde 6LU7 Absorption acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 addition aldehyde aldehyde derivatives Algorithm analysis analyzed binding energy caused clinical trials Compound Computer simulation coronavirus coronavirus disease Coronavirus disease 2019 derivative derivatives disease distribution docking excretion exhibited global pandemic Health hepatotoxicity hydroxybenzaldehyde in silico indicated inhibitor Interaction metabolism molecular docking non-toxic outbreak PDB predicted protease Protein Data Bank protocol SARS-CoV-2 Screening seaweed severe acute respiratory syndrome Coronavirus therapeutic compound Therapeutic compounds these compound these compounds Toxicity Virtual screening virtual screening. [DOI] 10.3390/md20060399 PMC 바로가기 [Article Type] Article