Benzo[ a]pyrene-Environmental Occurrence, Human Exposure, and Mechanisms of Toxicity벤조[a]피렌-환경 발생, 인체 노출 및 독성 메커니즘Review Published on 2022-06-062022-09-11 Journal: International Journal of Molecular Sciences [Category] 유전자 메커니즘, [키워드] aromatic hydrocarbon association benzo[a]pyrene carcinogenic carcinogenicity cause cigarette smoke concerning COVID-19 pandemic cytochrome P450 determine DNA epoxy Evidence exhibit exposure exposure to expressed facilitate genotoxicity Human impairment involved mechanism metabolism multiplication Mutation neurotoxic Occurrence organism P450 polycyclic polycyclic aromatic hydrocarbons. polymorphism pyrene receptor sensitivity Soil Surface water teratogenic toxic effect toxic effects Toxicity turn viruses water widespread xenobiotics [DOI] 10.3390/ijms23116348 PMC 바로가기 [Article Type] Review
Identification of Potential Antiviral Inhibitors from Hydroxychloroquine and 1,2,4,5-Tetraoxanes Analogues and Investigation of the Mechanism of Action in SARS-CoV-2Article Published on 2022-02-042022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, COVID19(2023년), SARS, [키워드] 6M0J ACE2 receptor Action analogue antimalarial Antiviral binding affinity biological activity carcinogenicity compounds COVID-19 database evaluated FIVE identification identify in vitro in vivo inhibitor Interaction intestinal investigated investigation mechanism of action molecular molecular docking molecular docking studies MPro PDB penetration pharmacokinetic Potential protease inhibitors receptor Receptor-binding domain risk SARS-CoV-2 selected Structure structures Virtual screening was performed was used were used [DOI] 10.3390/ijms23031781 PMC 바로가기 [Article Type] Article
Investigating Fungi-Derived Bioactive Molecules as Inhibitor of the SARS Coronavirus Papain Like Protease: Computational Based StudyMedicine Published on 2021-10-212022-10-31 Journal: Frontiers in Medicine [Category] COVID-19, [키워드] amino acid residues analyses Analysis Antiviral antiviral therapy approach Auto-dock binding affinity candidate carcinogenicity catechin caused Compound compounds Computational approaches concerning COVID-19 COVID-19 pandemic Critical death develop deviation effective effort fluctuation fungi Gromacs growth hydrogen bonds infections inhibitor Interaction investigated less Like molecule outcomes Papain Papain-like protease PLPro protease Protease inhibitor radius of gyration RMSD RMSF SARS Coronavirus SARS-CoV-2 screened selected the binding affinity time-consuming Toxicity WHO World Health Organization [DOI] 10.3389/fmed.2021.752095 PMC 바로가기 [Article Type] Medicine
Plant-Based Phytochemical Screening by Targeting Main Protease of SARS-CoV-2 to Design Effective Potent InhibitorsArticle Published on 2021-06-262022-10-28 Journal: Biology [Category] COVID-19, [키워드] active site acute respiratory syndrome ADMET adverse effects Antiviral antiviral drug Asian binding affinity biological activity carcinogenicity caused Characteristics complex complexes compounds coronavirus coronavirus disease COVID-19 Cys145 deviation disease docked drug drug candidate dynamics simulation effective Efficacy exhibited expressed fluctuation gallate high mortality rate His41 in viral inhibitor Laboratory M pro molecular docking Molecular dynamics simulation pathway pharmacological phytochemical phytochemicals plant plants potent profile protease Protein radius of gyration Replication reported retrieved SARS-CoV-2 Screening simple Spread supported targeting thermal stability these compound Toxicity Transcription treat Treatment Vaccine viral infection was used were assessed worldwide pandemic [DOI] 10.3390/biology10070589 PMC 바로가기 [Article Type] Article
The Use of In Silico Tools for the Toxicity Prediction of Potential Inhibitors of SARS-CoV-2SARS-CoV-2의 잠재적 억제제의 독성 예측을 위한 In Silico 도구의 사용Article Published on 2021-04-122022-09-10 Journal: Alternatives to Laboratory Animals [Category] MERS, 신약개발, 치료법, 치료제, [키워드] in silico toxicology adverse effects approval assist carcinogenicity Cardiotoxicity chymotrypsin Compound compounds computational toxicology Consensus Convalescent plasma therapy coronavirus coronavirus disease COVID-19 cysteine cysteine protease drug Drug development effort Endpoint exhibited hepatotoxicity in silico inhibitor inhibitors lead limitations Mutagenicity nucleocapsid protein positive Potential predict predicted prediction profiles protease Regulatory reported Repurposed drugs repurposing SARS-CoV-2 severe adverse effect silico studies therapeutic intervention Toxicity toxicity prediction were assessed were used [DOI] 10.1177/02611929211008196 PMC 바로가기 [Article Type] Article
Comprehensive Virtual Screening of the Antiviral Potentialities of Marine Polycyclic Guanidine Alkaloids against SARS-CoV-2 (COVID-19)Article Published on 2021-03-192022-10-28 Journal: Biomolecules [Category] COVID-19, SARS, [키워드] Monanchora n. sp. Absorption active sites activity adverse effect alkaloid Antiviral antiviral activity binding binding affinities binding affinity binding energy binding interaction Blood brain barrier calculated carcinogenic carcinogenicity carried caused Compound compounds Comprehensive correlation COVID-19 COVID-19 pandemic crambescidins crambescins CYP2D6 cytotoxicity docking dose examined excretion exhibited expected FDA FIVE glycoprotein guanidine Guanidine alkaloids in silico indicated intestinal investigated less lowest M pro membrane MPro non-structural protein nucleocapsid PDB pentacyclic plasma protein potentiality protease Protein public health emergency reported SAR SARS-CoV-2 SARS-COV-2 infection screened Screening specific treatment spike glycoprotein targets tested Toxicity Virtual screening [DOI] 10.3390/biom11030460 PMC 바로가기 [Article Type] Article
Harnessing the power of novel animal-free test methods for the development of COVID-19 drugs and vaccinesGuest Editorial Published on 2020-05-232022-10-28 Journal: Archives of Toxicology [Category] COVID-19, MERS, SARS, [키워드] accelerated antibody approach approaches biological processe carcinogenicity country COVID-19 Critical drug Drug discovery Efficacy EMA epitope European Medicines Agency feature Health Laboratory limitation Molecular biology Organoid pandemic pathogen predict resource SARS-CoV2 supplementary material Vaccine virus virus infectivity [DOI] 10.1007/s00204-020-02787-2 PMC 바로가기 [Article Type] Guest Editorial
Tavaborole, a Novel Boron-Containing Small Molecule for the Topical Treatment of Onychomycosis, Is Noncarcinogenic in 2-Year Carcinogenicity Studies타바보롤, 손발톱진균증의 국소 치료를 위한 새로운 붕소 함유 소분자로, 2년 발암성 연구에서 비발암성으로 나타났다.journal-article Published on 2014-09-012024-08-01 Journal: International Journal of Toxicology [Category] 백선증, [키워드] Antifungal carcinogenicity Onychomycosis tavaborole [DOI] 10.1177/1091581814545245 [Article Type] journal-article