Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main proteaseSARS-COV-2 주 프로테아제의 잠재적 억제제로서 작은 약물 유사 화합물의 계산 발견Article Published on 2021-09-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] active site Analysis Antiviral antiviral agent Antiviral agents antiviral drugs approach binding binding affinity binding free energy binding pocket calculation candidate carried Compound coronavirus coronavirus SARS-CoV-2 COVID-19 Dissociation constant Drug discovery enzyme exhibited Final free energy functional high affinity hot spots identify in silico inhibitor inhibitors inhibitors of SARS-CoV-2 insight Interaction Ligand M pro main protease mechanism Model molecular molecular docking molecular dynamics molecular dynamics simulations platform predicted predicted molecule predicted molecules Pro protease provided quantum chemical calculations residue SARS-CoV-2 SARS-CoV-2 inhibitors SARS-CoV-2 main protease these compound these compounds van der Waal van der Waals interactions Virtual screening [DOI] 10.1080/07391102.2020.1792989 PMC 바로가기 [Article Type] Article
Effectiveness of Natural Antioxidants against SARS-CoV-2? Insights from the In-Silico WorldArticle Published on 2021-08-202022-10-27 Journal: Antibiotics [Category] COVID-19, [키워드] affected Algorithm analyzed antioxidants for COVID-19 antiviral agent baicalin bind binding affinity Compound compounds docked E-Channel effective effort evaluated Genetic globe glycoprotein glycyrrhizin Helicase help hesperidin human blood proteins include insight Interaction Inverse docking MD simulation mechanism Medicine metabolite molecular docking natural natural antivirals pandemic performed phytochemical Pro proliferation protease Protein Protein target Proteins provide RdRP RNA-dependent RNA polymerase SARS CoV-2 SARS-CoV-2 Secondary Metabolite shown spike Steroids Virtual screening [DOI] 10.3390/antibiotics10081011 PMC 바로가기 [Article Type] Article
Self-guided Cognitive Behavioral Therapy Apps for Depression: Systematic Assessment of Features, Functionality, and Congruence With EvidenceOriginal Paper Published on 2021-07-302022-10-30 Journal: Journal of Medical Internet Research [Category] Coronavirus, SARS, [키워드] Activation Affect affected Anxiety Apple Apps assessment assist Care CBT CBT program Characteristics Clinical guidelines clinical trial cognitive cognitive behavioral therapy Cognitive restructuring conducted COVID-19 pandemic database Depression disorder downloaded effective ENhance Evidence feasible Features Google Play Health highlighting inclusion criteria information initial search internet-based CBT literature review management mental health mental health disorders mHealth Mobile applications mobile phone objective offer offered Patient privacy policy Pro protocols reported Research resources Result risk Samsung Galaxy J7 self-guided CBT-based apps Self-management Telemedicine therapy Treatment variety widespread worsened [DOI] 10.2196/27619 PMC 바로가기 [Article Type] Original Paper
Exploring Phytochemicals of Traditional Medicinal Plants Exhibiting Inhibitory Activity Against Main Protease, Spike Glycoprotein, RNA-dependent RNA Polymerase and Non-Structural Proteins of SARS-CoV-2 Through Virtual ScreeningPharmacology Published on 2021-07-082022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] activities activity Against against SARS-CoV agathisflavone amentoflavone Anacardium Analysis Anti-viral antiviral molecule approach Azadirachta indica binding energy Cissus Clerodendrum combating Corona cyanin disease drug Drug Bank drug design Drug discovery drugs effective vaccine effort Endemic experiment global pandemic Government of India Health help herbal medicine India inhibiting inhibitory activity MERS-CoV molecular molecular docking nCOVID-19 Ocimum Pedalium phytochemical plant Pro protease Protein target reported researcher respiratory Result RNA SARS-CoV SARS-CoV-2 screened Screening shown Solanum nigrum spike therapeutic Traditional Virtual screening Vitex Zingiber [DOI] 10.3389/fphar.2021.667704 PMC 바로가기 [Article Type] Pharmacology
Potential In Vitro Inhibition of Selected Plant Extracts against SARS-CoV-2 Chymotripsin-Like Protease (3CL Pro ) ActivityCommunication Published on 2021-06-292022-11-01 Journal: Foods [Category] COVID-19, [키워드] 3CL acting activity acute respiratory syndrome allyl isothiocyanate approach Brassica nigra calculated clinical trials complementary component concentrations contribute coronavirus coronavirus disease 19 COVID-19 Curcuma Curcumin energy transfer evaluated Extract FRET assay hydrolysis identify in vitro in vivo inhibited inhibiting inhibition inhibitors of SARS-CoV-2 inhibitory inhibitory effect main role molecule mustard mustard seeds natural compounds pandemic plant plant extracts Potential Pro protease Protease activity reducing Replication resulting SARS-CoV-2 SARS-CoV-2 3CLPro SARS-CoV-2 replication Sinigrin the SARS-CoV-2 Treatment turmeric vaccination wall rocket [DOI] 10.3390/foods10071503 PMC 바로가기 [Article Type] Communication
Urine Biochemical Parameters in Predicting Severity of SARS-CoV-2 Infection: an Experience in Tertiary Care Centre in Western IndiaOriginal Article Published on 2021-06-122022-10-29 Journal: Iranian Journal of Pathology [Category] COVID-19, [키워드] acute respiratory syndrome biochemical parameter Blood can be used cause controls coronavirus correlation determine diagnosed diagnostic enrolled experience healthy healthy controls India Infection ketone Mild mild cases moderate nasopharyngeal occult oropharyngeal swab parameter parameters Patient polymerase chain positive rate predict Pro progression Protein respiratory infection retrospective RNA virus RT-PCR SARS-CoV-2 severity Severity of infection significantly higher study period Tertiary three group transcriptase urinary Urinary biochemical parameters Urine was done [DOI] 10.30699/IJP.2021.136576.2496 PMC 바로가기 [Article Type] Original Article
Scaffold Hopping of α-Rubromycin Enables Direct Access to FDA-Approved Cromoglicic Acid as a SARS-CoV-2 M Pro InhibitorArticle Published on 2021-06-052022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] α-rubromycin Streptomyces collinus access acid antibiotic binding free energy catalytic activity Cheminformatics COVID-19 COVID-19 pandemic Critical cromolyn cytotoxicity Direct docking Drug discovery effective enzyme feature fibroblast globe help highlight Hopping in silico in vitro inhibit introduced MPro medication metabolite microbial MNP Molecular dynamics simulation offer Pro reduce SARS-CoV-2 Streptomyce suppress therapeutic efficacy time-consuming Toxicity Vaccines Virtual screening was used [DOI] 10.3390/ph14060541 PMC 바로가기 [Article Type] Article
Four Weeks of Detraining Induced by COVID-19 Reverse Cardiac Improvements from Eight Weeks of Fitness-Dance Training in Older Adults with Mild Cognitive ImpairmentArticle Published on 2021-05-312022-10-29 Journal: International Journal of Environmental Research an [Category] Coronavirus, SARS, [키워드] Acute respiratory infection Adults aerobic age aging Analysis average baseline levels benefit bpm cardiac Cardiovascular health change Cognitive impairment combined training COVID-19 Dance effective eight females fitness generate Health heart rate HRV improvement induced Intervention lockdown lockdowns maintain male measure mental health Mild MONITOR Older one-way ANOVA pandemic Pandemics parameter participant participated performance physical physical activity Pro promote reduced reducing response responsiveness reversed severity strength Symptom team training training cessation Variability was used Week were used wireless zone [DOI] 10.3390/ijerph18115930 PMC 바로가기 [Article Type] Article
Research priority-setting for human, plant, and animal virology: an online experience for the Virology Institute of the PhilippinesResearch Published on 2021-04-292022-10-31 Journal: Health Research Policy and Systems [Category] Coronavirus, MERS, SARS, [키워드] Agenda-setting aligned approach biosafety catastrophic caused conducted Consensus consequence coronavirus disease COVID-19 criteria develop diagnostics Diseases Epidemiology evaluate expressed facilitated feasible Final Government Health health planning Health policy initial limitation medium methodology National one health pandemic Pandemics participant platform Priority-setting Pro Research Result selected supplementary material Surveillance Virology [DOI] 10.1186/s12961-021-00723-z PMC 바로가기 [Article Type] Research
Phytoconstituents, In Vitro Anti-Infective Activity of Buddleja indica Lam., and In Silico Evaluation of its SARS-CoV-2 Inhibitory PotentialPharmacology Published on 2021-04-122022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] Buddleia indica 3CL pro active site active sites activity antimicrobial Antiviral antiviral activity Bacillus subtilis Buddleja caffeic acid comparable Compound consolidation COVID-19 COVID-19 pandemic dihydrofolate dose exhibited glucoside Helicobacter pylori herpes simplex highest HSV-1 Isolation kaempferol methanol molecular docking Molecular modeling notable phytochemical Phytoconstituents Potential Pro quercetin Safe SARS-CoV-2 Scrophulariaceae susceptible vesicular stomatitis viral replication virus VSV [DOI] 10.3389/fphar.2021.619373 PMC 바로가기 [Article Type] Pharmacology