Active site-specific quantum tunneling of hACE2 receptor to assess its complexing poses with selective bioactive compounds in co-suppressing SARS-CoV-2 influx and subsequent cardiac injuryOriginal Article Published on 2021-12-292022-10-30 Journal: Journal of Advanced Veterinary and Animal Research [Category] COVID-19, [키워드] active site acute respiratory syndrome Algorithm Analysis apigenin candidate cardiac injury complexes Compound conducted coronavirus defined deviation distribution docking drug drug design exhibited fluctuation forms H-bonds hACE2 hACE2 receptor human Angiotensin-converting enzyme Hydrogen bond hydrophobic interaction Injury Ligand ligands material MDs mechanism metabolism molecular molecular docking Molecular dynamic parameter polar profile profiles programming Protein Quantitative quantum tunneling quercetin receptor Research resulting RMSD RMSF SARS-CoV-2 selected selective Simulation solvent subsequent suggested supramolecular docking target specificity the binding affinity were used [DOI] 10.5455/javar.2021.h544 PMC 바로가기 [Article Type] Original Article
Low Incidence of COVID-19 Infection in Patients with Acute Myeloid Leukemia Undergoing Reduced Intensity/Venetoclax Based Treatment: Initial Results of the PACE Prospective Clinical Study from the UK Trials Acceleration ProgramConference abstract Published on 2021-11-232022-10-05 Journal: Blood [Category] 유전자 메커니즘, 임상, 치료법, [키워드] acceleration AML Analysis Asymptomatic BMS board Celgene Chemotherapy clinical clinical study clinical trial Cohort cohort of patient concerning conducted Coronavirus disease 2019 cough COVID-19 COVID-19 infection cure death defined determine Diagnosis disease download education employment estimate exacerbated Exploratory analysis Fever figure Follow-up funding Hematological malignancy higher risk hospital immune response Immunosuppression incidence incidence of COVID-19 increasingly indicate Infection information intensity Intensive Jazz MDs median age myelodysplasia myeloid Non-COVID-19 Occurrence outcome pandemic Patient patient hospitalization patients patients treated Patients with cancer PCR test positive presenting symptom Program proportion Prospective provide receiving recruited reduce regimen regimens required Result resulting risk of COVID-19 risk of death SARS-CoV2 secondary severity speaker suffered Support table Takeda tested treated patients Treatment treatment arm treatment history vaccination venetoclax were infected [DOI] 10.1182/blood-2021-146061 [Article Type] Conference abstract
Development of Effective Therapeutic Molecule from Natural Sources against Coronavirus ProteaseArticle Published on 2021-08-302022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, MERS, SARS, [키워드] addition Administered amino acid residue Antiviral agents binding binding domain can be used complex complexes coronavirus disease correlated Course COVID-19 COVID-19 patients demonstrated development disease docked docking docking result docking score drug candidate drug design effective exhibited flavonols Free energy calculations in silico in silico Approach inhibitor inhibitory Interaction investigated involved less Ligand M pro MPro MDs MM/GBSA molecular Molecular dynamics simulation molecular target molecule Mutation myricetin Myricitrin natural natural products protein-ligand interaction reduced Remdesivir residue RMSD RMSF rutin SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 Mpro selected Source stability Treatment Vaccine [DOI] 10.3390/ijms22179431 PMC 바로가기 [Article Type] Article
A study to design minimum data set of COVID-19 registry systemResearch Article Published on 2021-08-092022-10-28 Journal: BMC Infectious Diseases [Category] COVID-19, MERS, SARS, [키워드] build COVID-19 COVID-19 pandemic COVID-19 vaccination death Diagnosis diagnostic test disease eight element elements evaluated FIVE Follow-up group help implementation IMPROVE information Iran Khuzestan Province MDs Medical Science Minimum data set National outcome Physical examination pilot study Registry system Result Treatment university was performed was selected [DOI] 10.1186/s12879-021-06507-8 PMC 바로가기 [Article Type] Research Article
Investigation of nonsynonymous mutations in the spike protein of SARS-CoV-2 and its interaction with the ACE2 receptor by molecular docking and MM/GBSA approach분자 도킹 및 MM/GBSA 접근법을 통한 SARS-CoV-2 스파이크 단백질의 비동의적 돌연변이 및 ACE2 수용체와의 상호작용 조사Article Published on 2021-08-012022-09-11 Journal: Computers in biology and medicine [Category] SARS, 변종, 유전자 메커니즘, [키워드] ACE2 ACE2 receptor acute respiratory distress acute respiratory distress syndrome angiotensin angiotensin-converting enzyme 2 approach approaches binding binding affinity binding free energy bioinformatics caused coagulation dysfunction COVID-19 D614G develop disease docking domain examined free energy G476S help Host human cell human cells in viral Infection infectious interact Interaction investigated investigation L18F MDs MERS-CoV molecular docking molecular dynamics Molecular dynamics simulation molecular mechanism mutant mutants Mutation N501Y nonsynonymous mutation Nonsynonymous mutations pathogenic pathological mechanism Perspective RBD receptor Receptor-binding domain researcher respiratory distress responsible reveal S-protein SAR-CoV-2 SARS-CoV SARS-CoV-2 SARS-CoV-2 pandemic screened Septic shock spike Spike protein spike-protein stability syndrome the spike protein Treatment viral disease viral infection virulent [DOI] 10.1016/j.compbiomed.2021.104654 PMC 바로가기 [Article Type] Article
Therapeutic development by repurposing drugs targeting SARS-CoV-2 spike protein interactions by simulation studiesResearch article Published on 2021-08-012022-10-05 Journal: Saudi Journal of Biological Sciences [Category] 신약개발, [키워드] affected Analysis antiviral drugs binding energy conducted Corona COVID-19 COVID-19 disease deviation docking Doxorubicin drug drugs drugs targeting evaluate Exemestane fluctuation Gatifloxacin gyration host cell Hydrogen bond in silico inhibit Interaction Interpretation MDs molecular interaction Molecular simulation pandemic pathogenic Prevent radius RBD complex reference Research respiratory Respiratory illness RMSD RMSF root SARS-CoV-2 SARS-CoV-2 spike protein Simulation study Spike protein Spread square suggested the SARS-CoV-2 therapeutic molecules transmitted virus spike protein Wuhan, China [DOI] 10.1016/j.sjbs.2021.04.057 [Article Type] Research article
Antibody Mediated Immunity to SARS-CoV-2 and Human Coronaviruses: Multiplex Beads Assay and Volumetric Absorptive Microsampling to Generate Immune Repertoire CartographyImmunology Published on 2021-07-272022-11-01 Journal: Frontiers in Immunology [Category] COVID-19, SARS, [키워드] 229E addition Analysis anti-S and anti-N antibodies antibodies antibody antibody immunity Antibody Response bead can be used category caused coefficient Combination Concentration condition convalescent COVID-19 pandemic COVID-19 vaccine COVID-19 vaccine studies Critical cross-reactive cross-reactive antibody immunity detect Effect Evidence fingerstick blood highly pathogenic HKU1 Human human coronavirus human coronaviruses human coronaviruses (HCoVs) Humoral immunity IgA IgG IgM IgM antibody indicate log MDs Mediated MERS MONITOR mPlex-CoV assay multidimensional Multiplex assay NL63 nucleocapsid OC43 pandemic preexisting human coronavirus immunity Protein recipient recipients repertoire reported SARS-CoV-1 SARS-CoV-2 scaling analysis sensitivity separated specificity strain Variation volumetric volumetric absorptive micro-sampling (VAMS) Zoonotic coronavirus [DOI] 10.3389/fimmu.2021.696370 PMC 바로가기 [Article Type] Immunology
QSAR modeling and pharmacoinformatics of SARS coronavirus 3C-like protease inhibitorsSARS 코로나바이러스 3C 유사 프로테아제 억제제의 QSAR 모델링 및 약리정보학Article Published on 2021-07-012022-09-11 Journal: Computers in biology and medicine [Category] SARS, 치료제, [키워드] 3CLpro Absorption ADMET Analysis binding ability binding affinity can be used carried complex complexes Compound coronavirus correlation coefficient COVID-19 database docking drug target effective FIVE Genome inhibitor inhibitors inhibitory activity MDs metabolism molecular docking molecular dynamics Molecular dynamics simulation Novel coronavirus predicted protease Protease inhibitor QSAR R 2 ranged relationship retrieved SARS Coronavirus SARS Coronavirus 3C-like protease SARS Coronavirus 3C-like protease. Seven statistically significant Treatment Vaccines variance variance inflation factor VIF [DOI] 10.1016/j.compbiomed.2021.104483 PMC 바로가기 [Article Type] Article
Potent phytochemicals against COVID-19 infection from phyto-materials used as antivirals in complementary medicines: a reviewReview Published on 2021-06-022022-10-31 Journal: Future Journal of Pharmaceutical Sciences [Category] COVID-19, [키워드] addition Analysis Antiviral authors Ayurveda and Siddha complementary COVID 19 COVID-19 infection COVID-19 pandemic COVID-19 situation Evidence free fatty acid help in silico In silico method Inclusion increase in Indian system of medicine main protease MDs Medicines outbreak outcome performed polyphenols potent produced Regulation Research researcher SARS CoV-2 selected Spike protein Traditional Chinese medicine treat [DOI] 10.1186/s43094-021-00259-7 PMC 바로가기 [Article Type] Review
V367F Mutation in SARS-CoV-2 Spike RBD Emerging during the Early Transmission Phase Enhances Viral Infectivity through Increased Human ACE2 Receptor Binding Affinity초기 전파 단계에서 나타나는 SARS-CoV-2 스파이크 RBD의 V367F 돌연변이는 증가된 인간 ACE2 수용체 결합 친화도를 통해 바이러스 감염성을 향상시킵니다Virus-Cell Interactions Published on 2021-06-022022-09-10 Journal: Journal of Virology [Category] SARS, 변종, 유전자 메커니즘, 진단, [키워드] ACE2 ACE2 receptor acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 affinity Analysis analyzed angiotensin assays binding binding affinity caused circulating coronavirus CoV COVID-19 COVID-19 pandemic Critical domain dominant dominant mutations drug ELISA enzyme-linked immunosorbent enzyme-linked immunosorbent assay Genome genomes hot spot Human human ACE2 human Angiotensin-converting enzyme humans in silico Increased indicated infect infectious Infectivity MDs molecular dynamics Molecular dynamics simulation molecular dynamics simulations mutant Mutation nonsynonymous Novel coronavirus pandemic of COVID-19 pangolin pangolin CoV phase Phylogenetic analysis provide Pseudotyped virus RBD RBD mutation RBD mutations receptor Receptor binding Receptor-binding domain (RBD) Recombination Research respiratory SARS-CoV-2 SARS-CoV-2 isolate SARS-CoV-2 isolates SARS-CoV-2 RBD SARS-CoV-2 spike protein SARS-CoV-2 variant selection pressure severe acute respiratory syndrome Coronavirus spike spike mutation spike mutations Spike protein Support surface plasmon surface plasmon resonance Surveillance sustained the RBD the SARS-CoV-2 trajectory Transmission V367F Vaccine Vaccines variant variants Viral viral infectivity viral tropism zoonotic infections zoonotic origin [DOI] 10.1128/JVI.00617-21 PMC 바로가기 [Article Type] Virus-Cell Interactions