Synthesis and Crystal Structure of Adamantylated 4,5,6,7-Tetrahalogeno-1 H-benzimidazoles Novel Multi-Target Ligands (Potential CK2, M2 and SARS-CoV-2 Inhibitors); X-ray/DFT/QTAIM/Hirshfeld Surfaces/Molecular Docking StudyArticle Published on 2022-12-242023-07-11 Journal: Molecules [Category] COVID19(2023년), [키워드] CK2 inhibitor interactions pattern M2 blocker molecular docking multi-target ligands SARS-CoV-2 inhibitor Structure synthesis. [DOI] 10.3390/molecules28010147 PMC 바로가기
Agathisflavone, a natural biflavonoid that inhibits SARS-CoV-2 replication by targeting its proteasesArticle Published on 2022-12-012022-11-15 Journal: International journal of biological macromolecules [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] acute respiratory syndrome AGT Anacardium Analysis anti-SARS-CoV-2 Anti-SARS-CoV-2 Activity Antiviral antiviral drug apigenin Biflavonoid biological activity Calu-3 Cell clinical benefit coronavirus COVID-19 dose-dependent manner humoral immune response indicated inhibit investigated Lineage M pro monomer Papain-like protease pro-inflammatory protease SARS-CoV-2 SARS-CoV-2 replication SARS-CoV-2. Structure susceptible TNF-α tumor necrosis factor-alpha Type II pneumocyte Vaccines variants of concern [DOI] 10.1016/j.ijbiomac.2022.09.204 PMC 바로가기
Epistasis-Driven Evolution of the SARS-CoV-2 Secondary StructureArticle Published on 2022-12-012022-11-16 Journal: Journal of molecular evolution [Category] COVID19(2023년), SARS, 변종, [키워드] acute respiratory syndrome arises arising base pairs Compensatory Compensatory evolution conserved coronavirus Deleterious derived allele epistasis Evolution form Frequency functional genetic background Genome highlight Hydrogen bond Hypothesis Last Modification motif Mutation natural selection pathogenicity regulate RNA SARS-CoV-2 secondary secondary structure Secondary structure. Structure target the SARS-CoV-2 UTR viral replication [DOI] 10.1007/s00239-022-10073-1 PMC 바로가기
The inhibitory activity of methoxyl flavonoids derived from Inula britannica flowers on SARS-CoV-2 3CLproArticle Published on 2022-12-012022-11-15 Journal: International journal of biological macromolecules [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CLpro concentrations coronavirus effective effort exhibited flavonoid HCoV-OC43 Hydrogen bond identify inhibited inhibitor inhibitory activity Inula britannica key amino acid Methoxyl flavonoids molecular simulations natural antiviral nuclear proliferation SARS- CoV-2 SARS-CoV-2 SARS-CoV-2. Structure suppressed [DOI] 10.1016/j.ijbiomac.2022.10.008 PMC 바로가기
Recent advances in applying G-quadruplex for SARS-CoV-2 targeting and diagnosis: A reviewArticle Published on 2022-11-302022-11-15 Journal: International journal of biological macromolecules [Category] SARS, 변종, 치료기술, 치료제, [키워드] accumulating addressed antiviral drug Care caused coronavirus SARS-CoV-2 diagnostic functions G-quadruplex Health Host Immune escape Intervention Ligand ligands neutralizing antibody nucleic acid pandemic polymerases protease Protein question recent regulate SARS-CoV-2 SARS-CoV-2 detection Structure targeting Targeting. Treatment strategies Vaccine variant virus virus [DOI] 10.1016/j.ijbiomac.2022.09.152 PMC 바로가기
Multiple genome analytics framework: The case of all SARS-CoV-2 complete variantsArticle Published on 2022-11-202022-11-16 Journal: Journal of biotechnology [Category] COVID19(2023년), SARS, 변종, 치료기술, [키워드] accelerated Algorithm Algorithms analyses analytics ARPaD bioinformatics Biotechnology can be used center Comparisons Complete computational tool COVID-19 dataset Efficiency framework Genome genome sequence genomic help information introduced knowledge LERP-RSA meta-analyses MPaD MuGA Multiple Multiple genome analytics framework organism palindrome pattern polymerase chain primer problem problems question repeated required resource resources SARS-CoV-2 SARS-CoV-2 genome sequence sequence SPaD. Structure text mining Topic variant variants [DOI] 10.1016/j.jbiotec.2022.09.015 PMC 바로가기
Modeling studies on the role of vitamins B1 (thiamin), B3 (nicotinamide), B6 (pyridoxamine), and caffeine as potential leads for the drug design against COVID-19Article Published on 2022-11-072022-11-15 Journal: Journal of molecular modeling [Category] SARS, 신약개발, 치료제, [키워드] ACE-2 adopted Antiviral antiviral activity applied approach binding pocket binding site caffeine Cell Characteristics chemical property Compound COVID-19 COVID-19 pandemic docking domain dosage drug design effective evaluate function impair Interaction Invasion lack mechanism modeling molecular molecular dynamic simulations Neutral nicotinamide potential mechanism Protein pyridoxamine Safe SARS-CoV-2 selected Side effects Structural analysis Structure the SARS-CoV-2 the Spike thiamin Toxicity Vitamin Vitamin B. [DOI] 10.1007/s00894-022-05356-9 PMC 바로가기
Exploring the anti-SARS-CoV-2 main protease potential of FDA approved marine drugs using integrated machine learning templates as predictive toolsArticle Published on 2022-11-012022-11-15 Journal: International journal of biological macromolecules [Category] SARS, 신약개발, 치료제, [키워드] activity Activity atlas model Activity cliff Algorithm anti-SARS-CoV-2 approved Atla Biological camostat Compound COVID-19 COVID-19 pandemic Cresset data set docked drug drugs effective FDA field Field template FIVE flare group Holichondrin B inactive macromolecules Marine drugs. nafamostat outbreak Predictive protease Protein remained Repurposed drug responsible Safe SARS-CoV-2 Structure structures [DOI] 10.1016/j.ijbiomac.2022.09.086 PMC 바로가기
Crystallographic study, biological assessment and POM/Docking studies of pyrazoles-sulfonamide hybrids (PSH): Identification of a combined Antibacterial/Antiviral pharmacophore sites leading to in-silico screening the anti-Covid-19 activityResearch article Published on 2022-11-012022-10-05 Journal: Journal of Molecular Structure [Category] 치료제, [키워드] acting activities addition Antimicrobial/Antioxidant bioactivity antioxidant Antiviral approach Bioavailability bioinformatics Compound compounds Delta derivative docking result docking study enzyme evaluated exhibited Free radicals identification Identification of the pharmacophore sites in vitro in-silico information Interaction microorganisms mutants NMR omicron Osiris pathogenic microorganism Petra Petra/Osiris/Molinspiration (POM) analyses pharmacophores PROTECT provided pyrazole Pyrazole Linked Sulfonamide Conjugates shown Structure synergistic target protein tested Toxicity X-ray diffraction [DOI] 10.1016/j.molstruc.2022.133605 [Article Type] Research article
Toward a Home Test for COVID-19 Diagnosis: DNA Machine for Amplification-Free SARS-CoV-2 Detection in Clinical SamplesArticle Published on 2022-10-192022-11-15 Journal: ChemMedChem [Category] COVID19(2023년), SARS, 치료기술, [키워드] 10-23 DNAzyme amplification annealing Arm ARMS binary hybridization probe can be used clinical clinical sample complexes COVID-19 deoxyribozyme sensor detection detection of folded RNA. diagnostic DNA DNA machine FIVE home IMPROVE limit of detection machine other respiratory virus point-of-care polymerase chain positive Quantitative reported RNA RNA virus RT-qPCR Sample SARS-CoV-2 SARS-CoV-2 detection Structure Test Viral RNA [DOI] 10.1002/cmdc.202200382 PMC 바로가기