Novel and Emerging Therapies for Inflammatory Bowel DiseaseReview Published on 2021-04-142024-09-02 Journal: Frontiers in Pharmacology [Category] 대상포진, [키워드] biologic emerging therapy Inflammatory bowel disease novel therapy small molecule [DOI] 10.3389/fphar.2021.651415 PMC 바로가기 [Article Type] Review
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
An Update for Pharmacologists on New Treatment Options for Inflammatory Bowel Disease: The Clinicians’ PerspectiveReview Published on 2021-04-122024-09-02 Journal: Frontiers in Pharmacology [Category] 대상포진, [키워드] anti-integrin drugs biologics fecal microbiota transplantation Interleukin-23 JAK inhibitor small molecule sphingosine-1-phosphate receptor modulator [DOI] 10.3389/fphar.2021.655054 PMC 바로가기 [Article Type] Review
Reducing SARS-CoV-2 pathological protein activity with small moleculesReview Paper Published on 2021-04-052022-10-29 Journal: Journal of Pharmaceutical Analysis [Category] COVID-19, [키워드] Abstract acting anti-SARS-CoV-2 APOBEC approach candidate coronavirus SARS-CoV-2 COVID-19 COVID-19 outbreak Curcumin cytosine Deamination disease Diseases drug drugs effective Epidemic Health Human Image indicated Infection inhibit molecular natural natural products nucleic acid Pathogens Protein Proteins reduce Replication SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 RNA small molecule Strategy target the SARS-CoV-2 the SARS-CoV-2 genome therapeutic approaches Therapeutic nucleotides Treatment viral genome viral infection virus [DOI] 10.1016/j.jpha.2021.03.012 PMC 바로가기 [Article Type] Review Paper
Multi-schema computational prediction of the comprehensive SARS-CoV-2 vs. human interactomeBioinformatics Published on 2021-04-052022-10-28 Journal: PeerJ [Category] COVID-19, [키워드] Algorithm anti-SARS-CoV-2 therapeutics Comprehensive interactome COVID-19 Critical disease disrupt Evidence experiments highest host-pathogen interactions human protein human proteins identify information inhibitory Inter-species interaction prediction Interaction Intersection machine learning Novel coronavirus Pathogenesis polypeptide polypeptides PPI predicted Predictive predictor protein-protein interaction protein–protein interaction provided proximal Reciprocal released resource Result SARS-CoV virus SARS-CoV-2 SARS-CoV-2 protein Scientific community Seven small molecule spike-ACE2 subset target the disease the SARS-CoV-2 understanding viral disease was used [DOI] 10.7717/peerj.11117 PMC 바로가기 [Article Type] Bioinformatics
Coronavirus helicases: attractive and unique targets of antiviral drug-development and therapeutic patents코로나바이러스 헬리카제: 항바이러스 약물 개발 및 치료 특허의 매력적이고 독특한 표적Review Published on 2021-04-012022-08-31 Journal: Expert opinion on therapeutic patents [Category] SARS, 신약개발, 치료제, [키워드] acrylamide adamantane ADK Antiviral antiviral target Area bismuth complexes Compound conserved coronavirus coronavirus disease Coronavirus disease-19 coronavirus epidemics COVID-19 develop drug expert flavonoids furan Helicase include increasingly inhibit inhibitor Intervention MERS MERS-CoV nsp13 pharmacological PROTECT purine respiratory SARS-CoV SARS-CoV-2 Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus-2 small molecule Small molecules subsequent target targets therapeutic Treatment unique urgency vaccination Vaccinations Vaccine Vaccines Viral viral replication [DOI] 10.1080/13543776.2021.1884224 PMC 바로가기 [Article Type] Review
Suppression of SARS-CoV-2 infection in ex-vivo human lung tissues by targeting class III phosphoinositide 3-kinase클래스 III 포스포이노시티드 3-키나아제를 표적으로 하여 생체 외 인간 폐 조직에서 SARS-CoV-2 감염 억제Article Published on 2021-04-012022-09-11 Journal: Journal of medical virology [Category] 신약개발, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus addition Antiviral effect approved ATG14 autophagolysosome autophagy Betacoronavirus canonical caused cellular class III PI3-K clinically complex component coronavirus coronavirus disease COVID-19 COVID-19 treatment Ex vivo ex vivo human lung tissues. examined Factor HCQ Host human lung human lung tissue Immunosuppression include Infection inhibit inhibited inhibiting inhibitor involved kinase Kinase inhibitor lysosomal novel Betacoronavirus pandemic pathway Prevent Previous studies previous study SARS-CoV-2 SARS-COV-2 infection small molecule small molecule inhibitor Small molecule inhibitors Small molecules suggested suppresse suppressed suppression tested therapeutic therapeutic target therapeutic targets tissues Transmissibility Treatment Ulk1 Vps34 [DOI] 10.1002/jmv.26583 PMC 바로가기 [Article Type] Article
The evolution of commercial drug delivery technologies Reviews Published on 2021-04-012022-10-05 Journal: Nature biomedical engineering [Category] 신약개발, [키워드] antibodies approach article Compliance contribute drug Evolution Health identify IMPROVE include initial macromolecules nucleic acids Patient peptides Protein review small molecule therapeutic Therapies [DOI] 10.1038/s41551-021-00698-w [Article Type] Reviews
Drugmonizome and Drugmonizome-ML: integration and abstraction of small molecule attributes for drug enrichment analysis and machine learningDrugmonizome 및 Drugmonizome-ML: 약물 농축 분석 및 기계 학습을 위한 소분자 속성의 통합 및 추상화Original Article Published on 2021-03-312022-09-11 Journal: Database: The Journal of Biological Databases and [Category] SARS, 신약개발, 치료제, [키워드] addition approved assist attribute biological processe can be used Consensus Critical database databases drug enrichment analysis Gene Expression heterogeneous in vitro independent indication indications induce information knowledge machine learning molecular overlap Peripheral Neuropathy predict processing resource SARS-CoV-2 Side effect Side effects similarity small molecule Small molecules targets understanding utility Viral viral replication [DOI] 10.1093/database/baab017 PMC 바로가기 [Article Type] Original Article
Prioritizing antiviral drugs against SARS-CoV-2 by integrating viral complete genome sequences and drug chemical structuresArticle Published on 2021-03-182022-10-04 Journal: Scientific Reports [Category] SARS, 바이오마커, 치료제, [키워드] ACE2 antiviral drug applied approved drug association AUC binding energy caused clinical trial Complete Computational biology and bioinformatics Computer science coronavirus SARS-CoV-2 COVID-19 Critical curated CVs datasets domain drug Drug discovery enzyme febrile genome sequence heterogeneous identify information technology molecular outbreak receptor Remdesivir Respiratory disease restart ribavirin SARS-CoV-2 significantly similarity small molecule Spike protein Structure suggested the SARS-CoV-2 VDA virus-drug association viruses [DOI] 10.1038/s41598-021-83737-5 PMC 바로가기 [Article Type] Article