Allostery and Missense Mutations as Intermittently Linked Promising Aspects of Modern Computational Drug DiscoveryReview Published on 2022-09-152023-07-09 Journal: Journal of Molecular Biology [Category] COVID19(2023년), [키워드] allosteric communication paths centrality drug resistance drug toxicity dynamic residue network (DRN) analysis. [DOI] 10.1016/j.jmb.2022.167610 PMC 바로가기 [Article Type] Review
Human Fungal Infection, Immune Response, and Clinical Challenge-a Perspective During COVID-19 PandemicReview Published on 2022-09-012023-07-09 Journal: Applied biochemistry and biotechnology [Category] COVID19(2023년), [키워드] COVID-19 drug resistance Fungal infection hyperinflammation immunity. [DOI] 10.1007/s12010-022-03979-5 PMC 바로가기 [Article Type] Review
Molecular modeling of potent novel sulfonamide derivatives as non-peptide small molecule anti-COVID 19 agents비펩타이드성 소분자 항-COVID 19 제제로서 강력한 신규 설폰아미드 유도체의 분자 모델링Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] Coronavirus, SARS, 치료제, [키워드] active site activity acute respiratory syndrome acute respiratory syndrome coronavirus ADMET antiviral activity approach causative agent checked Complexes Compound Computational chemistry conducted coronavirus COVID-19 derivative distribution drug design drug resistance drug-likeness drugs flexibility group imidazole imidazole derivative imidazole derivatives inhibit inhibitor Interaction introduced less MD simulation metabolism molecular molecular docking molecular dynamics Molecular dynamics simulation observé predicted protease Protease inhibitor Proteases respiratory infections SARS-CoV-2 SARS-CoV-2 main protease severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 Side effects stability structure-based drug design. sulfonamide Toxicity [DOI] 10.1080/07391102.2021.1897043 PMC 바로가기 [Article Type] Article
Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infectionArticle Published on 2022-09-012022-11-16 Journal: Structure (London, England : 1993) [Category] COVID19(2023년), SARS, 변종, [키워드] acetylated binding BRD4 bromodomain bronchial epithelial cells C-terminus contribute decrease domain drug resistance E protein envelope E protein. ET domain human cells in vivo Infection JQ1 lung mechanism molecular mechanism motif OTX015 pharmacological target recognize SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 pathogenesis the SARS-CoV-2 transcriptional regulator variants of SARS-CoV-2 virus [DOI] 10.1016/j.str.2022.05.020 PMC 바로가기
Population structure of Mycobacterium tuberculosis from referral clinics in Western Siberia, Russia: Before and during the Covid-19 pandemicResearch article Published on 2022-09-012022-10-05 Journal: Infection, genetics and evolution : journal of mol [Category] 유전자 메커니즘, 치료기술, [키워드] analyzed association Beijing Beijing genotype changes in clinics collected COVID-19 decrease detection rate drug resistance Factor feature Genotype genotyping Health Hypothesis impacted incidence increase in isolate isolates Local MDR Mycobacterium tuberculosis pandemic Patient Population Prevalence proportion reduced resources Russia Siberia Tuberculosis while [DOI] 10.1016/j.meegid.2022.105343 [Article Type] Research article
A Glance at the Development and Patent Literature of Tecovirimat: The First-in-Class Therapy for Emerging Monkeypox OutbreakArticle Published on 2022-08-252022-11-15 Journal: Viruses [Category] Fulltext, 원숭이두창, 진단, 치료제, [키워드] animal antivirals approved benefit Canada clinical study COVID-19 development disease dosage drug drug combination drug resistance Efficacy EMA European Medicines Agency food forms Health Canada highlight infections injection Interaction literature literature review Monkeypox MOST non-human primate off-label orthopoxvirus outbreak parameters Patent patents. pharmacokinetic regulatory agency rule SIGA-246 technology tecovirimat TPOXX treat Treatment United State USA Viral diseases website [DOI] 10.3390/v14091870 PMC 바로가기
Understanding the genetics of viral drug resistance by integrating clinical data and mining of the scientific literature임상 데이터 통합 및 과학 문헌 마이닝을 통한 바이러스성 약물 내성 유전학 이해Article Published on 2022-08-252022-09-11 Journal: Scientific Reports [Category] B형 간염, SARS, 변종, 치료제, [키워드] Analysis analysis approach article assist binding pocket caused Clinical data clinical study clinically compendium Disulfide disulfide bond drug drug resistance entecavir Evidence genetic mutation genetic mutations genetics Genotype HBV hepatitis B Hepatitis B virus identify information location Mutation mutational hotspot Mutational hotspots mutations Perspective phenotype public health threat PubMed Central robust SARS-CoV-2 understanding viral disease Viral diseases Viral resistance virus viruses [DOI] 10.1038/s41598-022-17746-3 PMC 바로가기 [Article Type] Article
Assessment of a Computational Approach to Predict Drug Resistance Mutations for HIV, HBV and SARS-CoV-2Article Published on 2022-08-242022-11-15 Journal: Molecules [Category] SARS, 변종, 유전자 메커니즘, 치료제, [키워드] 3CLpro Accuracy antiviral drugs approach approach assessment binding free energy capsid demonstrated dependent on drug Drug discovery drug resistance effective Effectiveness emtricitabine experiment HBV HIV identify mechanism MM-GBSA Mutation mutations Nirmatrelvir performed predict predicted primary mechanism Protein Research residue residue scanning. resistance Rt SARS-CoV-2 selected sensitivity time-consuming treatment strategy Viral protein [DOI] 10.3390/molecules27175413 PMC 바로가기
Central carbon metabolism remodeling as a mechanism to develop drug tolerance and drug resistance in Mycobacterium tuberculosisArticle Published on 2022-08-222022-11-16 Journal: Frontiers in Cellular and Infection Microbiology [Category] 유전자 메커니즘, [키워드] accumulating acquisition adaptive antibiotic Antibiotic resistance Antibiotics biochemical carbon metabolism catalytic catalytic shift Combination COVID-19 outbreak develop drug regimen drug resistance drug tolerance drug-resistant Efficacy etiological agent Evidence facilitate Genetic identify Infection Infectious disease intrinsic mechanism metabolomics molecular basis molecular mechanism Mycobacterium tuberculosis phenotypic Population populations powerful tool provide regimen susceptible target thought Tolerance Treatment Tuberculosis tuberculosis. unique [DOI] 10.3389/fcimb.2022.958240 PMC 바로가기
Unveiling the “Template-Dependent” Inhibition on the Viral Transcription of SARS-CoV-2SARS-CoV-2의 바이러스 전사에 대한 "템플릿-의존성" 억제 공개Article Published on 2022-08-112022-09-11 Journal: The journal of physical chemistry letters [Category] COVID19(2023년), SARS, 치료제, [키워드] acting active site Antiviral complementary COVID-19 pandemic demonstrated drug resistance inhibition inhibitors inhibitory investigated mechanism mechanisms molecular mechanism Mutation NTP nucleotide occur provided RdRP RdRps Remdesivir RNA synthesis RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2 RdRp SARS-CoV-2 RNA steric translocation V557L [DOI] 10.1021/acs.jpclett.2c01314 PMC 바로가기 [Article Type] Article