Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egressArticle Published on 2024-03-132024-08-29 Journal: mBio [Category] 말라리아, [키워드] 3D structure egress enzyme regulation malaria Plasmodium pro-domain subtilin-like protease.
Antiviral potential of diminazene aceturate against SARS-CoV-2 proteases using computational and in vitro approachesArticle Published on 2022-11-012022-11-15 Journal: Chemico-biological interactions [Category] SARS, 치료제, [키워드] 3D structure ACE2 addition antiparasitic approach binding binding energy caused cleavage site COVID-19 Diminazene aceturate disease drug enzyme evaluate experimental model in silico in vitro in vivo inhibit Interaction M pro membrane molecular molecular docking molecular target Prevent processed promote protease Protein Protein Data Bank PyMol reduction in S1 and S2 SARS-CoV-2 SARS-CoV-2 protease spike receptor-binding domain stability targets tested viral replication virus infection was used [DOI] 10.1016/j.cbi.2022.110161 PMC 바로가기
Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics SimulationsArticle Published on 2022-10-122022-11-15 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] 3D structure active site addition applied binding binding features binding site catalytic complexes Confusion Coverage COVID-19 dataset delirium dissociation Dizziness drug candidate drug design Dynamics Effectiveness facilitate feature high affinity information inhibitor Ligand M pro MCCS modulator molecular molecular dynamics simulations MPro Multiple Neurological symptom pathway protease Protein provided reported SARS-CoV-2 Seizures Simulation stroke Vaccine were used [DOI] 10.3390/molecules27206823 PMC 바로가기
Preparation and pre-clinical evaluation of flagellin-adjuvanted NOM vaccine candidate formulated with Spike protein against SARS-CoV-2 in mouse modelArticle Published on 2022-10-012022-11-15 Journal: Microbial pathogenesis [Category] COVID19(2023년), SARS, 진단, [키워드] 3D structure acute respiratory syndrome Analysis anti-S Antigen Antisera bind Cell Cell-mediated immune responses chimeric China Cluster coronavirus cytokine develop docking effective elicit ELISA ENhance evaluated expressed flagellin groups humoral IFN-γ IgG IL-10 IL-17 IL-22 IL-6 immune response immunoinformatics indicated Infection Interaction mice Ni-NTA NOM protein ORF3a outbreak performed pneumonia case preparation promoted Protein purified raised receptor S protein Salmonella SARS-CoV-2 significantly increased spike spleen TLR5 TNF-α Total vaccination Vaccine vaccine candidate vaccine candidates was selected were assessed Wuhan [DOI] 10.1016/j.micpath.2022.105736 PMC 바로가기
Self-supervised region-aware segmentation of COVID-19 CT images using 3D GAN and contrastive learningResearch article Published on 2022-10-012022-10-05 Journal: Computers in biology and medicine [Category] 치료기술, [키워드] 3D structure approach automatically build can be used Contrastive learning COVID-19 dataset Final GAN generate generative adversarial network healthy IMPROVE Infection Infection Segmentation initial lesion lesions limitation lung margin outperform overcome predict Region Self-supervised segmentation sensitivity therapeutic while [DOI] 10.1016/j.compbiomed.2022.106033 [Article Type] Research article
Utility of in silico-identified-peptides in spike-S1 domain and nucleocapsid of SARS-CoV-2 for antibody detection in COVID-19 patients and antibody productionArticle Published on 2022-09-052022-11-15 Journal: Scientific Reports [Category] SARS, 변종, 진단, 치료기술, [키워드] 2D structure 3D structure analyzed antibody Antibody detection antibody production Antibody Response Antigen antigenic peptides changes in COVID-19 patient COVID-19 patients domain eight Evidence homology immunogenic in silico analysis limitation N protein New nucleocapsid peptide performed Proteins provide RBD Result S1 domain SARS-CoV-2 SARS-CoV-2 variant selected sequence serum serum sample Seven Standardization structural proteins the N protein the spike protein trimer virus viruses were used [DOI] 10.1038/s41598-022-18517-w PMC 바로가기
In silico SARS-CoV-2 vaccine development for Omicron strain using reverse vaccinology역백신학을 이용한 오미크론 균주에 대한 In silico SARS-CoV-2 백신 개발Article Published on 2022-08-012022-09-11 Journal: Genes & genomics [Category] COVID19(2023년), SARS, 변종, [키워드] 3D structure 3D Structures ACE2 ACE2 receptor acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 allergenicity angiotensin angiotensin converting enzyme angiotensin converting enzyme 2 antigenic antigenicity applied B cell epitope B cell epitopes B.1.1.529 binding collected coronavirus develop Efficacy effort enzyme epitope Epitopes estimation final vaccine construct Health Organization in silico MHC I MHC II molecular docking analysis Mutation non-allergenic non-toxic omicron pandemic Physicochemical properties physicochemical property predict predicted Prevent profile RaptorX reduce reverse vaccinology SARS-CoV-2 SARS-CoV-2 vaccine second secondary structure secondary structures selected severe acute respiratory syndrome Coronavirus solubility Spread stability Structure tested the vaccine Toxicity Vaccine vaccine candidate vaccine construct Vaccine design Vaccines variant viral genome sequences virus VoC was performed were used WHO wild type World Health Organization [DOI] 10.1007/s13258-022-01255-8 PMC 바로가기 [Article Type] Article
In Silico Analysis of the Effects of Omicron Spike Amino Acid Changes on the Interactions with Human Proteins인간 단백질과의 상호 작용에 대한 오미크론 스파이크 아미노산 변화의 효과에 대한 실리코 분석Article Published on 2022-07-282022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 변종, 치료기술, [키워드] 3D structure acid adopted affected Amino acid amino acid change amino acid changes among others Analysis antibodies antibody applied approach can be used change characterized complexes comprehensive analysis detectability Effect Epidemiology Human Interaction Mutation omicron other variants predict predicted Protein protein variants protein–protein interactions resolved SARS-CoV-2 SARS-CoV-2 spike protein SARS-CoV-2 variant selected spike spike glycoprotein Spike protein Transmissibility [DOI] 10.3390/molecules27154827 PMC 바로가기 [Article Type] Article
Viral immunogenic footprints conferring T cell cross-protection to SARS-CoV-2 and its variantsSARS-CoV-2 및 그 변이체에 T 세포 교차 보호를 부여하는 바이러스 면역원성 발자국Article Published on 2022-07-282022-09-11 Journal: Frontiers in Immunology [Category] COVID19(2023년), SARS, 변종, [키워드] 229E 3D structure 3D Structures approach Asymptomatic case Asymptomatic cases CD8+ T cell cellular cellular response concern conserved contributing to Coronaviruses COVID-19 cross-protection cross-reactivity death disease Endemic epitope Epitopes examination expected explain explanation Features Genetic Heterologous HLA-A HLA-A*02:01 human coronaviruses human coronaviruses 229E human infection Immunity immuno informatics immunogenic immunogenic feature immunogenicity include indicate individual individuals infected individuals Infection involved molecular OC43 other coronaviruses outcomes pathogen Pathogens peptide peptides physicochemical Population SARS-CoV SARS-CoV-2 SARS-CoV-2 peptides SARS-CoV-2 sequence sequence Sequence analysis severe disease Structural analysis Structure T cell T-cell T-cell epitopes target Trigger uninfected Vaccine development variant variants virus viruses Wuhan [DOI] 10.3389/fimmu.2022.931372 PMC 바로가기 [Article Type] Article
SARS-Arena: Sequence and Structure-Guided Selection of Conserved Peptides from SARS-related Coronaviruses for Novel Vaccine DevelopmentSARS-Arena: 새로운 백신 개발을 위한 SARS 관련 코로나바이러스에서 보존된 펩티드의 서열 및 구조 유도 선택Article Published on 2022-07-122022-09-11 Journal: Frontiers in Immunology [Category] COVID19(2023년), SARS, 변종, 치료법, [키워드] 3D structure affected against SARS-CoV agent Analysis approach can be used case study caused CD8 computational method Computational methods conserved contribute coronavirus COVID-19 disease cross-reactive database development envelope proteins help HLA HLA-Arena HLA-B7 Human human leukocyte antigen humoral Humoral response immune response less leukocyte mitigate MOST Multiple sequence alignment N protein Notebook novel nucleocapsid nucleocapsid protein pandemic peptide peptides pHLA scoring Practitioner practitioners Prevent Protein protein regions protein sequence protein sequence alignment protein sequences Proteins Region related viruses responsible SARS-CoV SARS-CoV viruses SARS-CoV-2 SARS-CoV-2 virus Selection selection pressure Sequence alignment Spike protein structural modeling. susceptible T-cell T-cells target the disease the N protein the SARS-CoV-2 virus the spike protein therapy Vaccine development Vaccines variants viral envelope protein viral strains viruses widespread [DOI] 10.3389/fimmu.2022.931155 PMC 바로가기 [Article Type] Article