Causal network models of SARS-CoV-2 expression and aging to identify candidates for drug repurposing약물 용도 변경 후보를 식별하기 위한 SARS-CoV-2 발현 및 노화의 인과 관계 네트워크 모델Article Published on 2021-02-152022-08-31 Journal: Nature Communications [Category] MERS, 신약개발, 유전자 메커니즘, 치료제, [키워드] Analysis approach approved drug candidate candidate drugs Causal clinical trial clinical trials Critical Data integration data-driven Diseases Drug discovery Drug repurposing expression Gene regulatory networks High-throughput screening highlight identify in vitro experiment kinase kinases lung lung epithelium machine learning pandemic pathogenicity Pathways platform Protein target protein targets proteomic RNA-seq data robust SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 pandemic Serine severity suggested target the SARS-CoV-2 threonine transcriptional transcriptomic tyrosine Virtual drug screening while [DOI] 10.1038/s41467-021-21056-z PMC 바로가기 [Article Type] Article
Chemoprotective antimalarials identified through quantitative high-throughput screening of Plasmodium blood and liver stage parasites플라스모디움 혈액 및 간 단계 기생충의 정량적 고처리량 스크리닝을 통해 확인된 화학 보호 항말라리아제Article Published on 2021-01-222024-08-08 Journal: Burma Med J [Category] 말라리아, [키워드] High-throughput screening Parasitic infection phenotypic screening [DOI] 10.1038/s41598-021-81486-z PMC 바로가기 [Article Type] Article
Differential expression and correlation analysis of miRNA–mRNA profiles in swine testicular cells infected with porcine epidemic diarrhea virusArticle Published on 2021-01-212022-10-29 Journal: Scientific Reports [Category] Coronavirus, [키워드] Analysis bacterial invasion Bioinformatics analysis Cell Cell Biology Cellular signalling networks Computational biology and bioinformatics Control correlated correlation Correlation analysis Cytoscape DE miRNA DE miRNAs DESeq differential expression differentially expressed epidemic diarrhea Epigenetic epithelial cells expression expression pattern Gene regulatory networks group groups High-throughput screening Host immune response Immunity in vitro induce Infection Interaction involved mechanism Mechanisms of disease microRNA miRanda miRNA miRNA expression mRNA mRNAs Next-generation sequencing NF-κB signaling NGS Pathogenesis pathway PEDV performed polymerase chain predicted profile qRT-PCR Quantitative R package Randomly reverse transcription selected sequencing data Strains variant viral pathogenicity virulent virus [DOI] 10.1038/s41598-021-81189-5 PMC 바로가기 [Article Type] Article
Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents잠재적인 항 SARS-CoV-2 제제로서의 3-키모트립신 유사 프로테아제(3CLPro) 억제제의 확인Article Published on 2021-01-202022-09-10 Journal: Communications Biology [Category] 신약개발, 치료제, [키워드] 3CLpro acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus-2 anti-SARS-CoV-2 boceprevir chymotrypsin Combination Coronavirus-2 develop drug drugs enzymatic activity enzyme enzyme activity exhibited FDA approved Drugs High-throughput screening homodimeric identification identify Infection inhibit inhibit SARS-CoV-2 inhibitor inhibitory activity inhibitory effect Ivermectin lack micafungin molecular molecular dynamics Molecular dynamics simulation morbidity ombitasvir outbreak paritaprevir protease public health Replication replication of SARS-CoV-2 respiratory SARS-CoV-2 SARS-CoV-2 replication SARS-CoV-2 viral Screening selected severe acute respiratory syndrome Coronavirus simulation studies target targets the SARS-CoV-2 therapy tipranavir Viral was used [DOI] 10.1038/s42003-020-01577-x PMC 바로가기 [Article Type] Article
Potential repurposing of four FDA approved compounds with antiplasmodial activity identified through proteome scale computational drug discovery and in vitro assayArticle Published on 2021-01-142022-10-04 Journal: Scientific Reports [Category] 신약개발, [키워드] antimalarial approach approved benefit binding efficiency co-crystallized complexes Compound Computational drug Drug discovery and development DrugBank Efficiency evaluated FDA GRIM High-throughput screening in vitro Interaction Ligand ligands matching MD simulation minimum molecular dynamics molecular interaction Plasmodium falciparum Potential proteome ranged retained screened selected similarity stability target threshold Virtual screening [DOI] 10.1038/s41598-020-80722-2 PMC 바로가기 [Article Type] Article
Molecular basis of the interaction of the human tyrosine phosphatase PTPN3 with the hepatitis B virus core proteinArticle Published on 2021-01-132023-06-03 Journal: Scientific Reports [Category] B형 간염, [키워드] Biochemistry Biological techniques Biophysical methods High-throughput screening Molecular biology Proteins Structure determination [DOI] 10.1038/s41598-020-79580-9 PMC 바로가기 [Article Type] Article
Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysisSARS-CoV-2에 대한 항 HIV1 화합물의 가상 스크리닝: 기계 학습 모델링, 화학 정보학 및 분자 역학 시뮬레이션 기반 분석Article Published on 2020-11-232022-08-31 Journal: Scientific Reports [Category] SARS, 신약개발, 치료제, [키워드] 3CLpro Analysis analyzed avian coronavirus caused chymotrypsin Cluster Compound compounds coronavirus COVID-19 cysteine cysteine protease deep learning drug drug-likeness enzyme Final followed by functional functional group functional groups group High-throughput screening hour Infectious Bronchitis Virus inhibitor Interaction molecular docking molecular dynamics Molecular dynamics simulation molecular target pandemic PDB structure pharmacological Predictive SARS-CoV-2 screened sequence Sequence alignment the SARS-CoV-2 treated Virtual screening was done [DOI] 10.1038/s41598-020-77524-x PMC 바로가기 [Article Type] Article
A nanoluciferase SARS-CoV-2 for rapid neutralization testing and screening of anti-infective drugs for COVID-19Article Published on 2020-10-152022-10-04 Journal: Nature Communications [Category] MERS, SARS, 신약개발, 임상, 진단, 치료법, 치료제, [키워드] A549 cell anti-infective drug anti-infective drugs Antiviral antivirals approved can be used Cell culture clinically Concentration Concordance coronavirus coronavirus disease COVID-19 evaluate expressing facilitate High-throughput screening human ACE2 receptor identify inactive Infection inhibitor neutralization neutralizing antibody patient sera plaque reduction neutralization platform PRNT replicate SARS-CoV-2 selective Serological testing severe respiratory syndrome Vaccine wild-type virus [DOI] 10.1038/s41467-020-19055-7 PMC 바로가기 [Article Type] Article
A role for Biofoundries in rapid development and validation of automated SARS-CoV-2 clinical diagnosticsArticle Published on 2020-09-082022-10-04 Journal: Nature Communications [Category] SARS, 진단, 치료제, [키워드] approach Assay systems automated boost bottlenecks Community creating dependent on develop diagnostic diagnostics High-throughput screening Infectious diseases isothermal amplification lab London NHS Patient per day platform RNA extraction RT-LAMP RT-qPCR SARS-CoV-2 SARS-CoV-2 pandemic SARS-CoV-2 testing scaled shown Synthetic biology [DOI] 10.1038/s41467-020-18130-3 PMC 바로가기 [Article Type] Article
Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main proteaseArticle Published on 2020-09-042022-10-04 Journal: Nature Communications [Category] SARS, 신약개발, 치료제, [키워드] 3CLpro Anti-HCV approved binding boceprevir catalytically active clinically coronavirus COVID-19 Critical drug target global public health High-throughput screening information inhibit inhibit SARS-CoV-2 inhibitor M pro maturation mechanism Nanocrystallography nucleotide pandemic polyprotein protease Proteases RdRP reveal RNA polymerase SARS-CoV-2 SARS-CoV-2 protease SARS-CoV-2 replication SARS-CoV-2 virus Structural analysis Vero Cell Viral RNA virus WHO [DOI] 10.1038/s41467-020-18233-x PMC 바로가기 [Article Type] Article