Identification and Characterization of Species-Specific Severe Acute Respiratory Syndrome Coronavirus 2 Physicochemical PropertiesArticle Published on 2021-04-152023-06-14 Journal: Journal of Proteome Research [Category] MERS, SARS, [키워드] machine learning Physicochemical properties SARS-CoV-2 classification support vector machines [DOI] 10.1021/acs.jproteome.1c00156 PMC 바로가기 [Article Type] Article
Identification of a novel inhibitor of SARS-CoV-2 3CL-PRO through virtual screening and molecular dynamics simulationComputational Biology Published on 2021-04-132022-10-28 Journal: PeerJ [Category] COVID-19, [키워드] 3CL-Pro adopted analyzed antiviral drug approach AutoDock binding caused chemotypes Compound compounds computation conformational coronavirus coronavirus diseases COVID-19 COVID-19 pandemic crystal structures crystallographic structure demonstrated develop deviation Diversity docking drug candidate effective FDA-approved drug fluctuation Frame global effort globe Gromacs High-resolution identification in silico indicated inhibitor insight interval library Ligand ligands main protease molecular docking Molecular dynamics simulation molecular target MPro oral bioavailability other molecules over parameters performed pharmacokinetic Physicochemical properties predicted profiles protease protein-ligand protein-ligand interaction protein-ligand interactions Result RMSD RMSF Safe SARS-CoV-2 selected small molecule target protein the SARS-CoV-2 the SARS-CoV-2 virus Toxicity trajectory treat Vina viral disease Virtual screening while X-ray crystallographic structure [DOI] 10.7717/peerj.11261 PMC 바로가기 [Article Type] Computational Biology
Role of Hydrogen Bonds in Formation of Co-amorphous Valsartan/Nicotinamide Compositions of High Solubility and Durability with Anti-hypertension and Anti-COVID-19 Potential항고혈압 및 항-COVID-19 잠재성을 지닌 높은 용해도 및 내구성을 갖는 공동-비정질 발사르탄/니코틴아미드 조성물의 형성에서 수소 결합의 역할Article Published on 2021-04-012022-08-31 Journal: Molecular Pharmaceutics [Category] 치료제, [키워드] (nicotinamide) acting active pharmaceutical ingredient analyses angiotensin Angiotensin II anti-hypertensive applied approaches Bioavailability bond caused characterized co-amorphization conformational change conformational changes coronavirus COVID-19 Density functional theory Donor drug drugs Effects Efficacy exhibit flexible Formation functional heterodimeric hydrogen Hydrogen bond hydrogen bonds hypertension ingredient Interaction key factor liquid low molecular weight lung market molecules NIC nicotinamide pandemic coronavirus Physicochemical properties Potential quantum theory receptor receptor blocker responsible role SARS-COV-2 infection solid dispersion solubility treat valsartan X-ray [DOI] 10.1021/acs.molpharmaceut.0c01096 PMC 바로가기 [Article Type] Article
Immunoinformatic approach to design a multiepitope vaccine targeting non-mutational hotspot regions of structural and non-structural proteins of the SARS CoV2Bioinformatics Published on 2021-03-232022-10-28 Journal: PeerJ [Category] COVID-19, [키워드] 3D structure Analysis Antigen antigen processing antigenicity approach B cell binding affinity binding energy calculated caused Cell complex coronavirus 2 cross-reactivity database demonstrated docking envelope protein epitope Epitopes evaluated Extracellular high mortality HLA host cell hotspot IFN immune response Immune simulation induce Infection injection interacting residue Interaction leukocyte linker MDs Membrane proteins memory Microbiome Molecular dynamics simulation morbidity multiepitope vaccine Mutation mutations non-structural protein ORF1ab polyprotein ORF3a protein ORF8 protein outbreak pandemic Physicochemical properties predicted Protein proteomics Region respiratory Result SARS CoV2 screened selected sensitivity Seven similarity strong immune response Study design Surface glycoprotein T cell the vaccine TLR TLRs Toll-like receptor Toxicity vaccination Vaccine vaccine construct virus was performed [DOI] 10.7717/peerj.11126 PMC 바로가기 [Article Type] Bioinformatics
Identification and functional analysis of the SARS-COV-2 nucleocapsid proteinSARS-COV-2 뉴클레오캡시드 단백질의 동정 및 기능분석Research Article Published on 2021-02-222022-09-10 Journal: BMC Microbiology [Category] MERS, 치료법, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Affect Analysis analyzed applied biological function coil composed conducted coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 depth analysis Drug discovery flow cytometry functional Health Organization hydrophobic identification identify increased expression kinases mass spectrometry MERS-CoV N protein nuclear protein nucleocapsid nucleocapsid protein Nucleocapsid protein (N protein) phosphorylated Phosphorylation phosphorylation site phosphorylation sites physicochemical Physicochemical properties Pneumonia predicted prediction Protein protein kinase protein kinases ProtParam tool PROVEAN random reliability respiratory Result SARS-CoV SARS-CoV-2 SARS-CoV-2 nucleocapsid server severe acute respiratory syndrome Coronavirus significantly similarity SOPMA tool Structure subcellular localization supplementary material target targets tertiary structure therapeutic targets transfected with TUBA1C TUBB6 Vaccine virus widespread World Health Organization [DOI] 10.1186/s12866-021-02107-3 PMC 바로가기 [Article Type] Research Article
Virtual screening of phytochemical compounds as potential inhibitors against SARS-CoV-2 infectionResearch Published on 2021-01-282022-10-28 Journal: Beni-Suef University Journal of Basic and Applied Sciences [Category] COVID-19, [키워드] acute respiratory illness ADME Analysis antiretroviral drugs binding Cell Compound coronavirus Coronavirus infection death diagnosed diagnostic docking drug drugs effective inhibitor Efficacy GRP78 H-bond highest Host hydrophilicity hydrophobic identify in silico drug design In silico method India Infection inhibit inhibitor Interaction Molecular docking study pandemic performed permeation Physicochemical properties receptor Repurposed drug residue Result Retroviral infection reveal S-protein Safe SARS-COV-2 infection screened Side-effect supplementary material surface receptor Toxicity treated Treatment Virtual screening virus Western Ghats [DOI] 10.1186/s43088-021-00095-x PMC 바로가기 [Article Type] Research
Nano-Biomimetic Drug Delivery Vehicles: Potential Approaches for COVID-19 Treatment나노 생체모방 약물 전달 차량: COVID-19 치료를 위한 잠재적 접근Review Published on 2020-12-162022-09-10 Journal: Molecules [Category] MERS, SARS, 치료제, [키워드] Atherosclerosis biomimetic drug delivery biomimicry Cancer carriers Cell cell type cell types Community Concentration COVID-19 COVID-19 infection COVID-19 infections COVID-19 pandemic Cytokine storm syndrome delivery disease Diseases drug Efficacy erythrocytes hydrophilicity IMPROVE in some Infection Inflammatory diseases instance Ligand Macrophage macrophages mimicking Monocytes nanomedicine nanomedicines Nanotechnology organ outcomes Physicochemical properties Potential primary cell primary cell type reported retention SARS-CoV-2 sites of inflammation specificity state tested therapeutic Thrombocytes Treatment Trojan horse Vaccine [DOI] 10.3390/molecules25245952 PMC 바로가기 [Article Type] Review
Bioactivity Potential of Marine Natural Products from Scleractinia-Associated Microbes and In Silico Anti-SARS-COV-2 EvaluationScleractinia 관련 미생물 및 In Silico Anti-SARS-COV-2 평가에서 해양 천연 제품의 생물학적 활성 가능성Review Published on 2020-12-162022-09-10 Journal: Marine Drugs [Category] SARS, 치료제, [키워드] (RdRp activity ADME ADME analysis Analysis Bacteria biological activity Cancer Compound compounds Coverage determine Diseases drug filtered fungi hierarchy Inflammation investigated leads malaria marine bacteria marine fungi marine natural products methyltransferase microbe molecular docking molecular docking studies natural organism Organisms Physicochemical properties Potential producing product RdRP Research responsible RNA dependent RNA polymerase RNA polymerase RNA-dependent RNA polymerase SAR SARS-CoV-2 SARS-CoV-2 RNA Scleractinia Secondary Metabolite secondary metabolites selected structure activity relationship target these compound Viral diseases zooxanthellae [DOI] 10.3390/md18120645 PMC 바로가기 [Article Type] Review
Physicochemical properties of SARS‐CoV‐2 for drug targeting, virus inactivation and attenuation, vaccine formulation and quality controlReview Published on 2020-06-082022-10-31 Journal: Electrophoresis [Category] COVID-19, SARS, [키워드] acute respiratory syndrome adjuvants approach approval average buffer centrifugation competent condition conditions coronavirus COVID‐19 downstream Effects epitope example feasible Formulation immunologically inactivation information knowledge membranes Physicochemical properties Protein Quality control Radiation rigidity SARS‐CoV‐1 SARS‐CoV‐2 SARS‐CoV solvent stability Support susceptibility temperature transfer UV light Vaccine Vaccine development virus virus inactivation [DOI] 10.1002/elps.202000121 PMC 바로가기 [Article Type] Review
Efinaconazole Topical Solution, 10%: Formulation Development Program of a New Topical Treatment of Toenail Onychomycosis에피나코나졸 국소 용액, 10%: 발톱 무좀의 새로운 국소 치료제 개발 프로그램journal-article Published on 2015-07-012024-07-28 Journal: Pathogens [Category] 백선증, [키워드] delivery drug design efinaconazole excipients Formulation Onychomycosis permeability Physicochemical properties solubility stability [DOI] 10.1002/jps.24459 [Article Type] journal-article