Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug DevelopmentArticle Published on 2022-11-142022-11-15 Journal: Angewandte Chemie (International ed. in English) [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료기술, 치료제, [키워드] binding binding site Chemical chemotypes Comprehensive Consensus COVID19-NMR development drug drug design Drug discovery fragment fragment screening functional identify International Intervention Ligand NMR NMR spectroscopy novel performed predict protease Protein Proteins proteome protocol provide public health RNA genome SARS-CoV-2 SARS-CoV-2. Screening Space the SARS-CoV-2 Vaccines variant variants of concern was used [DOI] 10.1002/anie.202205858 PMC 바로가기
A review on computer-aided chemogenomics and drug repositioning for rational COVID-19 drug discoveryArticle Published on 2022-11-012022-11-15 Journal: Chemical biology & drug design [Category] 변종, 신약개발, 치료기술, 치료제, [키워드] analyzed application assist chemogenomics compounds Computational drug computational drug discovery Computational methods coronavirus coronavirus disease CoV COVID-19 CoVs drug candidate Drug discovery drug repositioning drugs Efficiency epidemic diseases example feasible Host in silico approaches molecular docking other variants outcome Polypharmacology polypharmacology. Protein provide reflected reported Spread therapeutic target time-consuming Toxicity turn unique virus virus [DOI] 10.1111/cbdd.14136 PMC 바로가기
Drug re-engineering and repurposing: A significant and rapid approach to tuberculosis drug discoveryReview Published on 2022-11-012023-07-10 Journal: Archiv der Pharmazie [Category] COVID19(2023년), [키워드] Drug discovery re-engineering repurposing tuberculosis. [DOI] 10.1002/ardp.202200214 PMC 바로가기 [Article Type] Review
Tools to Alleviate the Drug Resistance in Mycobacterium tuberculosisArticle Published on 2022-10-172022-11-15 Journal: Molecules [Category] 진단, [키워드] acid-fast bacillus Antibiotics Asymptomatic cause caused COVID-19 pandemic death detect diagnosed Diagnosis drug Drug discovery drug resistance drug-resistant estimates exhibiting Factor Frequency highlight Host intrinsically isolate isolates majority MDR molecular mechanism mutations mutations. Mycobacterium Mycobacterium tuberculosis Nucleic acid detection pathogen reduced reduction in resistance Treatment treatment regimen Tuberculosis WHO [DOI] 10.3390/molecules27206985 PMC 바로가기
Old drugs, new tricks: leveraging known compounds to disrupt coronavirus-induced cytokine stormArticle Published on 2022-10-102022-11-16 Journal: NPJ Systems Biology and Applications [Category] COVID19(2023년), SARS, 신약개발, [키워드] acute respiratory distress agonists Antimicrobials approach approved drugs automated biological pathway candidate drug Combination competing complex Compound compounds COVID-19 infection Cytokine storm Dexamethasone disrupt downstream interaction driving drug drug combination Drug discovery drugs drugs targeting dysregulation Effects element engage functional Host host immune system identify immune in silico Approach Interaction Intervention less mTOR inhibitor other disease peer-reviewed predicted Regulatory scored signaling cascade significantly subset suppressor syndrome target while [DOI] 10.1038/s41540-022-00250-9 PMC 바로가기
Live and let die: signaling AKTivation and UPRegulation dynamics in SARS-CoVs infection and cancerArticle Published on 2022-10-032022-11-16 Journal: Cell Death & Disease [Category] COVID19(2023년), SARS, 신약개발, 유전자 메커니즘, [키워드] acute respiratory syndrome AKT Cancer Cell Comorbidity coronavirus coronavirus disease COVID-19 de novo death deregulated drug Drug discovery Evidence feedback homeostasis homeostatic Infection Interaction maintain mechanism opposite pandemic pathogen pathway Pathways progression recent reduce regulate Regulation response responsible SARS-CoV SARS-CoV-2 SARS-COV-2 infection shown Signaling signaling cascade significantly survival therapeutic purposes Topic Treatment UPR viral infection viral infections [DOI] 10.1038/s41419-022-05250-5 PMC 바로가기
Projection in genomic analysis: A theoretical basis to rationalize tensor decomposition and principal component analysis as feature selection toolsArticle Published on 2022-09-292022-11-16 Journal: PLoS ONE [Category] 유전자 메커니즘, [키워드] addition adjusted applied Biomarker Cancer Cluster Conventional COVID-19 Critical data set data sets described differentially expressed gene distribution Drug discovery gaussian distribution Genes genomic identifying kidney null hypothesis P-value PCA principal component analysis projection pursuit Sample size statistical statistical test Tensor These data threshold treated vector [DOI] 10.1371/journal.pone.0275472 PMC 바로가기
In Silico Evaluation of Natural Flavonoids as a Potential Inhibitor of Coronavirus DiseaseArticle Published on 2022-09-272022-11-15 Journal: Molecules [Category] SARS, 치료제, [키워드] ACE2 Compound coronavirus coronavirus disease Coronaviruses COVID-19 death Diseases drug Drug discovery effective flavonoid flavonoids higher affinity Host in silico in silico studies. in vitro in vivo Infection inhibit Interaction involved lower binding energy M pro mechanism Medicine MPro natural outbreak Potential proliferation Protein recent researcher Ritonavir SARS-CoV-2 silico study Spike protein Structure therapeutic agent these compound Treatment Wuhan, China [DOI] 10.3390/molecules27196374 PMC 바로가기
Identification of FDA-approved bifonazole as a SARS-CoV-2 blocking agent following a bioreporter drug screenArticle Published on 2022-09-072022-11-15 Journal: Molecular therapy : the journal of the American So [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] ACE2 acute respiratory syndrome administration affecting angiotensin-converting enzyme 2 Antiviral association benefit bifonazole bind binding blocking agent compounds coronavirus coronavirus disease COVID-19 drug Drug discovery effective food High-throughput screening identification infect cell inhibitor interfere K18-hACE2 mice K353 live SARS-CoV-2 nanoluciferase bioreporter. omicron Prevent RBD RBD-ACE2 receptor Receptor binding domain reduce Replication residue SARS-CoV-2 spike glycoprotein spike-pseudotyped virus target receptor the RBD treat variants of concern vesicular stomatitis virus VoC VOCs [DOI] 10.1016/j.ymthe.2022.04.025 PMC 바로가기
Beyond the vaccines: a glance at the small molecule and peptide-based anti-COVID19 arsenalReview Published on 2022-09-062022-10-04 Journal: Journal of Biomedical Science [Category] SARS, 변종, 신약개발, [키워드] 3CLpro 3CLpro inhibitors accelerated ACE-2 ACE2 antibody anticipated Antiviral effect approach benefit composed Conjugates conserved Coronaviruses COVID-19 COVID-19 pandemic COVID19 drug Drug discovery effort Evidence FDA approval In-vitro inhibitor Medicinal chemistry monoclonal antibodies peptide-based peptides plethora PLPro PLpro inhibitors Predictive model Prevent Proteases Protein pursuit RdRP RdRp inhibitors Replication reported required researcher S protein SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 variant SARS-CoV-2 variants small molecule small molecule drug Small molecule inhibitors targets therapeutic option TMPRSS2 TMPRSS2 drug repurposing TMPRSS2 inhibitors Treatment vaccination vaccine platform Vaccines viral entry viral replication viral replication. [DOI] 10.1186/s12929-022-00847-6 PMC 바로가기 [Article Type] Review