Spectral and theoretical study of SARS-CoV-2 ORF10 protein interaction with endogenous and exogenous macroheterocyclic compoundsSARS-CoV-2 ORF10 단백질과 내인성 및 외인성 거대 이종고리 화합물 상호작용에 대한 스펙트럼 및 이론 연구Article Published on 2022-10-152022-09-11 Journal: Spectrochimica acta. Part A, Molecular and biomole [Category] COVID19(2023년), SARS, 치료제, [키워드] Accessory accessory protein accessory proteins Alpha Antiviral approved bind carried caused cells Chlorin choice complexes Compound coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 criteria drug effective drug effective drugs energy Escherichia coli expressed Features form health problem highest affinity Host immune response in silico infected patient infected patients inhibitor inhibitory initial Interaction macrocycle matter modulate molecular docking MOST ORF10 ORF10 protein Orientation pandemic Pathogenesis Porphyrin Pragmatic precedence Protein protoporphyrin public health recommendation resource SARS-CoV-2 SARS-CoV-2 accessory proteins SARS-CoV-2 coronavirus silico studies Spectral Spectroscopy Spectroscopy. Spread Stage suggested Taking the disease the SARS-CoV-2 Treatment treatment of COVID-19 virucidal virus [DOI] 10.1016/j.saa.2022.121403 PMC 바로가기 [Article Type] Article
Solanaceae Family Phytochemicals as Inhibitors of 3C-Like Protease of SARS-CoV-2: An In Silico AnalysisSARS-CoV-2의 3C 유사 프로테아제 억제제로서의 가지과 식물 화학물질: 실리코 분석Article Published on 2022-07-252022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] anthocyanidins anthocyanin anthocyanins Antiviral binding energy booster doses caused China Compound coronavirus SARS-CoV-2 country COVID-19 death derivative dose drug drugs Effectiveness eggplant examined family global pandemic in silico incanumine. Infection MPro phytochemical predicted protease Research resulting Russia SARS-CoV-2 SARS-CoV-2 replication silico studies Solanaceae the vaccine USA vaccinate Vaccine Vaccines virus Wuhan Wuhan, China [DOI] 10.3390/molecules27154739 PMC 바로가기 [Article Type] Article
Marine mollusc extracts-Potential source of SARS-CoV-2 antivirals해양 연체 동물 추출물-SARS-CoV-2 항바이러스제의 잠재적 공급원Review Published on 2022-07-012022-09-11 Journal: Reviews in Medical Virology [Category] COVID19(2023년), SARS, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus Adenovirus Antiviral antiviral action antiviral activity causative agent clinically coronavirus coronavirus disease Coronavirus disease 2019 demonstrated effective Evidence Hemolymph herpes simplex herpes simplex virus human coronavirus human coronaviruses in silico in vitro innate immune system Mollusca molluscs. Pacific oyster Pacific oyster (Crassostrea gigas) phylum PROTECT SARS-CoV-2 SARS-CoV-2 antivirals severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 silico studies treat virus virus particle viruses [DOI] 10.1002/rmv.2310 PMC 바로가기 [Article Type] Review
Identification of potential SARS-CoV-2 M pro inhibitors integrating molecular docking and water thermodynamics분자 도킹과 물 열역학을 통합하는 잠재적인 SARS-CoV-2 M pro 억제제 식별Article Published on 2022-07-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 치료제, [키워드] Analysis binding binding pocket caused chemotype Complete complex complexes coronavirus SARS-CoV-2 COVID-19 pandemic crystal structure Docking studies docking study effort flexible free energy globe health emergency high-resolution crystal structure hydrogen identification identify inhibit inhibitor intermolecular hydrogen bond Ligand M pro main protease MD simulation molecular molecular docking molecules protease protein-ligand protocol receptors SARS-CoV-2 SARS-CoV-2 main protease Scientific community scored selected silico studies silico study stability the SARS-CoV-2 thermodynamic water water thermodynamics. X-ray diffraction [DOI] 10.1080/07391102.2020.1867642 PMC 바로가기 [Article Type] Article
In Silico Screening of Novel TMPRSS2 Inhibitors for Treatment of COVID-19COVID-19 치료를 위한 새로운 TMPRSS2 억제제의 in Silico 스크리닝Article Published on 2022-06-302022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] active site Amino acid amino acid residues Antiviral compounds binding binding ability binding free energy calculated can be used caused Cell complex Compound COVID-19 COVID-19 drugs crystal structure database drugs effective equilibrium Ergotamine FDA flexibility free energy hydrogen hydrogen bonds implication in silico in vitro experiments inhibit lumacaftor molecular molecular dynamics Molecular dynamics simulation novel pandemic protease protein-ligand reached researcher residue residues SARS-CoV-2 SARS-COV-2 infection screened Screening Serine serine 2 silico studies Spread stability subsequent TMPRSS2 TMPRSS2 inhibitor TMPRSS2 inhibitors transmembrane transmembrane protease serine 2 transmembrane protease serine 2 (TMPRSS2) Treatment treatment of COVID-19 Virtual screening virus [DOI] 10.3390/molecules27134210 PMC 바로가기 [Article Type] Article
Phytochemical Analysis, Antimutagenic and Antiviral Activity of Moringa oleifera L. Leaf Infusion: In Vitro and In Silico StudiesMoringa oleifera L. 잎 주입의 식물화학적 분석, 항돌연변이 및 항바이러스 활성: 시험관 내 및 실리코 연구Article Published on 2022-06-222022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] activity Analysis analyzed anti-DNA damage antioxidant Antiviral AutoDock binding energy butylated hydroxytoluene carried chromone Compound COVID-19 Deoxyribonucleic acid determine DIPHENYL DNA DPPH Factor FIVE flavonoid flavonoids free radical gallic acid glucoside IC50 in silico in vitro information infusion inhibit Interaction involved kaempferol kelor. LC-MS leaf Liquid chromatography maintain Malnutrition mass spectrometry molecular docking Moringa Moringa oleifera MPro overcome phytochemical Plasmid positive controls Prevent protease PROTECT quercetin SARS-CoV-2 SARS-CoV-2 main protease silico studies silico study the SARS-CoV-2 treated was measured water [DOI] 10.3390/molecules27134017 PMC 바로가기 [Article Type] Article
Going Retro, Going Viral: Experiences and Lessons in Drug Discovery from COVID-19레트로화, 바이럴화: COVID-19 약물 발견의 경험과 교훈Article Published on 2022-06-142022-09-11 Journal: Molecules [Category] Coronavirus, COVID19(2023년), SARS, 신약개발, 치료제, [키워드] active site Antibiotics binding binding site Cell culture Clinical use computational studies Computational study COVID-19 COVID-19 pandemic develop docking drug Drug discovery drug target effective effort enzyme experience fidaxomicin flexible implication improvement in silico in vitro inhibit inhibitors lesson Ligand ligands Mutagenesis NiRAN nucleotide nucleotide analogs pace pathogen Pathogens predicted protein complex protein complexes RdRP researcher rifabutin rifamycins. RNA synthesis RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2 RdRp severity silico studies speed Spread throughput viral replication Virtual screening [DOI] 10.3390/molecules27123815 PMC 바로가기 [Article Type] Article
Implication of in silico studies in the search for novel inhibitors against SARS-CoV-2SARS-CoV-2에 대한 새로운 억제제를 찾기 위한 in silico 연구의 의미Review Published on 2022-05-012022-09-11 Journal: Archiv der Pharmazie [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Ad26.COV2.S affected Antiviral antiviral drug antiviral phytoconstituents antiviral properties antiviral property approved AstraZeneca AZD1222 BBIBP-CorV Bharat BNT162b2 carried caused combating Corona CoronaVac coronavirus country COVID-19 COVID-19 infection database disease drug Drug administration effective effective vaccine Emergency use food Health Organization in silico in silico screening in vitro in vivo India individual inhibitor inhibitors inhibitors of SARS-CoV-2 janssen library Ligand Medicine Medicines Moderna molecular molecular docking mRNA mRNA-1273 Mutation occurred pandemic pandemic disease performed Pfizer/BioNTech plant plants PubChem Remdesivir researcher SARS-CoV-2 severe acute respiratory syndrome Coronavirus silico studies Sinopharm Sinovac Spread targets Treatment treatment of COVID-19 Vaccine Vaccines variants of SARS-CoV-2 Veklury WHO World Health Organization Wuhan Wuhan, China Zinc [DOI] 10.1002/ardp.202100360 PMC 바로가기 [Article Type] Review
Antiviral Efficacy of Selected Natural Phytochemicals against SARS-CoV-2 Spike Glycoprotein Using Structure-Based Drug Designing구조 기반 약물 설계를 사용한 SARS-CoV-2 스파이크 당단백질에 대한 선택된 천연 파이토케미컬의 항바이러스 효능Article Published on 2022-04-082022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] Absorption ACE2 acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Analysis binding binding affinity Bioavailability candidate Compound conducted Coronaviral coronavirus coronavirus disease Coronavirus disease 2019 CoV COVID-19 crystal structure database disease distribution docked docked complex docked complexes drug drug candidate drug targets Effectiveness Environment excretion flavonoid Health host cells Immunological response library metabolism milk molecular molecular docking molecular dynamic simulation molecular interaction MPD3 natural pandemic PDB penetrate pharmacological target Phylloflavan phytochemical phytochemicals Protein PubChem Receptor binding domain S-RBD SARS-CoV-2 selected severe acute respiratory syndrome Coronavirus Sickness silico studies silico study spike spike glycoprotein Spike protein subgroups thistle Virtual screening virulent was obtained Zinc [DOI] 10.3390/molecules27082401 PMC 바로가기 [Article Type] Article
Potential effects of propolis and honey in COVID-19 prevention and treatment: A systematic review of in silico and clinical studies코로나19 예방 및 치료에 있어서 프로폴리스와 꿀의 잠재적 효과: in silico 및 임상 연구에 대한 체계적인 검토Review Published on 2022-03-012022-09-11 Journal: Journal of integrative medicine [Category] SARS, 임상, 치료법, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 adjuvant therapy angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 Case report case reports Case series case sery clinical evidence Clinical improvement Clinical studies clinical study clinical symptom Clinical symptoms Cochrane Library Compound concerning conducted controlled trials coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 symptom data extraction database decrease disease Effect enzyme evaluated Evidence Future Honey IMPROVE in silico In silico methods independent indicated Infection mechanism Mild moderate-to-severe COVID-19 patients molecular docking narrative Patient positive Potential potential mechanism Propolis protease Randomized controlled trial RCT RCTs Replication RNA-dependent RNA polymerase sample sizes SARS-CoV-2 severe acute respiratory syndrome Coronavirus silico studies silico study Spike protein Standard of care standardized data extraction systematic review target protein target proteins therapy Treatment viral clearance viral entry Viral RNA was used were used [DOI] 10.1016/j.joim.2022.01.008 PMC 바로가기 [Article Type] Review