Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR StudiesArticle Published on 2022-10-132022-11-15 Journal: International Journal of Molecular Sciences [Category] COVID19(2023년), SARS, 치료제, [키워드] addition Anticoagulant Anticoagulants carried Compound compounds conducted COVID-19 cytotoxicity demonstrated drug Dynamics eligible enzyme highest highest binding affinity Idraparinux in silico in silico approaches in vitro in vitro. inhibitory inhibitory activity inhibitory concentration intrinsic investigated M pro molecular molecular docking MPro MTT performed Potential protease reference standard SAR SARS-CoV-2 SARS-CoV-2 Mpro screened sodium the SARS-CoV-2 thermodynamic [DOI] 10.3390/ijms232012235 PMC 바로가기
Nafamostat Mesylate for Treatment of COVID-19 in Hospitalised Patients: A Structured, Narrative ReviewArticle Published on 2022-10-012022-11-15 Journal: Clinical pharmacokinetics [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] acute respiratory syndrome addition Antithrombotic Antiviral antiviral potency benefit cell line cellular clinical Clinical outcome clinical study clinical trial clinically Coronavirus-2 COVID-19 disease Disseminated intravascular coagulation drug effective Efficacy enzyme human cells human lung hypothesised indication inhibitory concentration intravenous investigated Japan Laboratory mesylate nafamostat Nafamostat mesylate narrative patients with moderate pharmacokinetic protease recruitment Remdesivir repurposing review robust SARS-CoV-2 serine 2 severe COVID-19 TMPRSS2 transmembrane treatment for COVID-19 viral entry [DOI] 10.1007/s40262-022-01170-x PMC 바로가기
Repurposing vilanterol as a novel potential antifungal for Candida albicans: In-silico & in-vitro approachResearch article Published on 2022-09-012022-10-05 Journal: Medicine in Drug Discovery [Category] 신약개발, [키워드] Acridine orange and Ethidium bromide Alter Amino acids CYSCystine Analysis AO/EBAcridine orange and Ethidium bromide approach binding binding free energy C. albican C. albicans Candida Candida albican carried cause cell membrane chronic Conditions obstructive pulmonary disease Clinical and Laboratory Standards Institute clinical study CLSIClinical and Laboratory Standards Institute complex Computational drug Concentration COPDchronic Conditions obstructive pulmonary disease Cystine demethylase diffusion Dimethyl sulfoxide disrupt DMSODimethyl sulfoxide docking method dose drug drug interaction Drug screening drugs Erg11pLanosterol 14-alpha demethylase FDAThe United States Food and Drug Administration fluorescent fungicidal fungicidal activity glycine GLYGlycine Health High-throughput virtual screening HISHistidine histidine HTVSHigh-throughput virtual screening humans In-vitro infect infections inhibitory concentration initial Interaction lanosterol Lanosterol 14-alpha demethylase MDSMolecular Dynamics Simulations MICMinimum inhibitory concentration Microscopy Minimum inhibitory concentration MMGBSAMolecular mechanics energies with generalized born surface area Molecular dynamics simulation molecular dynamics simulations Molecular mechanics energies with generalized born surface area mortality rate PBSPhosphate buffer saline PDBProtein Data Bank Phenylalanine PHEPhenylalanine Phosphate buffer saline Phosphatidylcholines Picoseconds POPCPhosphatidylcholines Protein Data Bank psPicoseconds repurposing Safe SDStandard deviation Serine SERSerine SPStandard-precision Standard deviation Standard-precision tested The United States Food and Drug Administration tyrosine TYRTyrosine Variable-dielectric surface generalized born model 2.0 VSGB 2.0Variable-dielectric surface generalized born model 2.0 XPXtra-precision Xtra-precision Yeast extract/peptone/dextrose YPDYeast extract/peptone/dextrose [DOI] 10.1016/j.medidd.2022.100137 [Article Type] Research article
Targeting SARS-CoV-2 endoribonuclease: a structure-based virtual screening supported by in vitro analysisSARS-CoV-2 엔도리보뉴클레아제 표적화: 체외 분석으로 지원되는 구조 기반 가상 스크리닝Article Published on 2022-08-032022-09-11 Journal: Scientific Reports [Category] SARS, 신약개발, 치료기술, 치료제, [키워드] Analysis approach approach Bank binding affinity binding energy cell line Compound compounds Concentration COVID-19 database deep learning Defense Diversity docking drug Drug Bank drug candidate endoribonuclease evade FIVE followed by Hierarchical Host host defense in vitro in vivo inhibitory concentration Interaction interfere life cycle molecular non-structural protein non-structural proteins Nsp15 Precision predict protocol responsible SARS-CoV-2 screened selectivity index shown supported targeting the binding affinity therapeutic effect Viral RNA Virtual screening virus was used were used [DOI] 10.1038/s41598-022-17573-6 PMC 바로가기 [Article Type] Article
Potential medicinal plants involved in inhibiting 3CLpro activity: A practical alternate approach to combating COVID-19Review article Published on 2022-08-012022-10-05 Journal: Journal of integrative medicine [Category] SARS, 변종, 치료제, [키워드] 3CLpro acute respiratory syndrome Angelica antiviral drug approach approved Camellia sinensis celastrol combating Compound compounds coronavirus Coronavirus 3C proteases coronavirus disease COVID-19 dose-dependent Drug development drugs Ecklonia cava effective facilitate gallate Glycosides Google Scholar help host cells IC50 inhibiting inhibitory concentration inhibitory effect involved less medicinal plants pharmacological target plant Plant-derived compounds Potential protease Replication Salvia miltiorrhiza SARS-CoV SARS-CoV-2 shown tested Torreya nucifera Treatment Vaccine variety Web of Science were used World Health Organization [DOI] 10.1016/j.joim.2022.08.001 [Article Type] Review article
Molecular mechanism of antibiotic resistance induced by mono- and twin-chained quaternary ammonium compounds단쇄 및 쌍쇄 4차 암모늄 화합물에 의한 항생제 내성의 분자 메커니즘Article Published on 2022-08-012022-09-11 Journal: The Science of the total environment [Category] 유전자 메커니즘, [키워드] accelerated Ammonium Antibiotic resistance Antibiotics BAC benzalkonium Benzalkonium chloride Cell chloride Compound Concentration contributed COVID-19 pandemic DDAC Didecyldimethylammonium Didecyldimethylammonium chloride E. coli Evolution exposure to faster FIVE inhibitory inhibitory concentration K-12 mechanism minimum molecular mechanism Multidrug resistance Mutagenesis Mutation outbreak outer membrane phenotypic Protein rifampicin risk RNA polymerase sensitivity Sequencing significantly Usage whole-genome sequencing Whole-genome sequencing. [DOI] 10.1016/j.scitotenv.2022.155090 PMC 바로가기 [Article Type] Article
Drug repurposing based on a quantum-inspired method versus classical fingerprinting uncovers potential antivirals against SARS-CoV-2고전적 지문과 비교하여 양자에서 영감을 받은 방법을 기반으로 한 약물 용도 변경은 SARS-CoV-2에 대한 잠재적인 항바이러스제를 밝혀냅니다.Article Published on 2022-07-182022-09-11 Journal: PLoS Computational Biology [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료제, [키워드] accelerated Algorithm Alpha Antiviral antiviral therapeutics approach approved B.1.1.7 B.1.351 B.1.617.2 Beta binary BMS-986094 Cell culture classical cobalamin Combination comparison Comparisons complex complexity Compound compounds computational resource computational resources COVID-19 pandemic cytotoxicity Delta demonstrated Drug repurposing DrugBank database Efficacy England evaluate form GS-6620 IC50 identify in vitro inhibit inhibited inhibitors inhibitory concentration limit maximum optimization overlap pace parameter predicted problem RdRP Remdesivir replication of SARS-CoV-2 resolved RNA-dependent RNA polymerase SARS-CoV-2 SARS-COV-2 infection screening method several variant several variants strain these compound these compounds vitamin B12 while [DOI] 10.1371/journal.pcbi.1010330 PMC 바로가기 [Article Type] Article
Evaluation of Bi-Lateral Co-Infections and Antibiotic Resistance Rates among COVID-19 Patients in Lahore, PakistanObservational Study Published on 2022-07-062022-10-05 Journal: Medicina [Category] 임상, [키워드] Acinetobacter antibiotic Antibiotic resistance antibiotic stewardship Bacteria Bacterial bacterial co-infection Bacterial infections carbapenem resistant Enterobacteriaceae Care clinical sample collected Complication conducted coronavirus COVID-19 COVID-19 patient Critically ill cultures diagnosed diagnostic methods diffusion E. coli Enterobacteriaceae Enterococcus Escherichia coli gold standard highest hospital hospital acquired infections. Hospital admission illnesses increase in Infection infections Influenza inhibitory concentration isolate isolates material methicillin morbidity and mortality MRSA National oxygen Patient positive Prevalence protective role Rate resistance Result Risk factors shown Staphylococcus aureus susceptibility tested Treatment viral respiratory [DOI] 10.3390/medicina58070904 PMC 바로가기 [Article Type] Observational Study
Duration of infectious viral shedding in patients with mild to moderate COVID-19 treated with REGN-CoV2REGN-CoV2로 치료받은 경증 내지 중등도의 COVID-19 환자에서 감염성 바이러스 배출 기간Article Published on 2022-07-012022-09-11 Journal: Journal of infection and chemotherapy : official j [Category] COVID19(2023년), SARS, 변종, 진단, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Antiviral effect approved caused Clinical course Clinical efficacy collected coronavirus coronavirus disease COVID-19 Culture Delta delta variant drug Duration effective Efficacy groups Hiroshima Infection inhibitory concentration investigated Isolation Mild Mild disease mild to moderate mild to moderate disease Moderate COVID-19 moderate disease New Patient patients with COVID-19 PCR testing performed Pharyngeal swab reduced REGN-CoV2 respiratory SARS-CoV-2 severe acute respiratory syndrome Coronavirus significantly shorter Spread strain study period treated Treatment treatment methods university Viral viral culture viral mutation Viral mutations viral shedding Viral shedding. virus virus culture virus strain with mild disease [DOI] 10.1016/j.jiac.2022.03.013 PMC 바로가기 [Article Type] Article
Synergistic anti-SARS-CoV-2 activity of repurposed anti-parasitic drug combinations용도 변경 구충제 조합의 상승적 항 SARS-CoV-2 활성Article Published on 2022-06-182022-09-11 Journal: BMC Pharmacology & Toxicology [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] Analysis anti-parasitic drug Anti-parasitic drugs Anti-SARS-CoV-2 Activity antiviral drug antiviral drugs approach benefit Calu Calu-3 calu-3 cells Chloroquine claimed clinical trials Combination combinations country COVID-19 pandemic demonstrated drug drug combination drug combinations drugs Economy effective Effectiveness ENhance epithelial cells evaluated Health Service highest in vitro inhibitory inhibitory concentration Ivermectin Lung epithelial cells niclosamide pandemic reduction in Repurposed drug repurposing resulting SARS-CoV-2 SARS-CoV-2. shown Spread synergistic synergy tested Treatment vaccination Vero E6 Vero E6 cell VERO E6 cells [DOI] 10.1186/s40360-022-00580-8 PMC 바로가기 [Article Type] Article