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Analysing the essential proteins set of Plasmodium falciparum PF3D7 for novel drug targets identification against malaria말라리아에 대한 새로운 약물 표적 식별을 위한 Plasmodium falciparum PF3D7의 필수 단백질 세트 분석Research Published on 2021-08-032024-08-08 Journal: Malaria Journal [Category] 말라리아, [키워드] Anti-malarial therapeutics comparative proteomics malaria pharmacophore modelling Plasmodium falciparum [DOI] 10.1186/s12936-021-03865-1 PMC 바로가기 [Article Type] Research
Pharmacophore Modelling-Based Drug Repurposing Approaches for SARS-CoV-2 TherapeuticsChemistry Published on 2021-05-102022-10-31 Journal: Frontiers in Chemistry [Category] COVID-19, [키워드] acute respiratory syndrome approved drugs average backbone binding binding pocket caused CDOCKER co-crystallized complex Compound compounds computational method coronavirus coronavirus disease COVID-19 COVID-19 therapeutics demonstrated deviation Discovery Studio docking drug Drug repurposing DrugBank DrugBank database effective Hydrogen bond inhibitor MDs Molecular docking study Molecular dynamics simulation Novel coronavirus outbreak PDB pharmacophore pharmacophore modelling Protein pursuit Remdesivir repurposing resulting S-adenosyl methionine SAM SARS-CoV-2 shown target the selected model Therapeutics Treatment was used [DOI] 10.3389/fchem.2021.636362 PMC 바로가기 [Article Type] Chemistry
Discovery of New Small Molecule Hits as Hepatitis B Virus Capsid Assembly Modulators: Structure and Pharmacophore-Based ApproachesArticle Published on 2021-04-272023-06-02 Journal: Viruses [Category] B형 간염, [키워드] capsid assembly modulators Hepatitis B virus pharmacophore modelling virtual screening, protein–protein interaction [DOI] 10.3390/v13050770 PMC 바로가기 [Article Type] Article
Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as M Pro inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)Research Note Published on 2020-11-112022-10-27 Journal: BMC Research Notes [Category] COVID-19, [키워드] acceptor acute respiratory syndrome antiviral drugs approach binding site bond Chloroquine complex coronavirus Coronavirus-2 COVID-19 derivative derivatives evaluate Favipiravir feature hydrogen Hydroxychloroquine inhibition activity inhibitor inhibitors Interaction interactions monolaurin objective performed pharmacophore pharmacophore modelling Pro Remdesivir Result Ritonavir SARS-CoV-2 Tetrodotoxin Vanillin were used [DOI] 10.1186/s13104-020-05379-6 PMC 바로가기 [Article Type] Research Note
Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as M Pro inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)Research Note Published on 2020-11-112022-10-27 Journal: BMC Research Notes [Category] Coronavirus, COVID-19, SARS, [키워드] acceptor acute respiratory syndrome antiviral drugs approach binding site bond Chloroquine complex coronavirus Coronavirus-2 COVID-19 derivative derivatives evaluate Favipiravir feature hydrogen Hydroxychloroquine inhibition activity inhibitor inhibitors Interaction interactions monolaurin objective performed pharmacophore pharmacophore modelling Pro Remdesivir Result Ritonavir SARS-CoV-2 Tetrodotoxin Vanillin were used [DOI] 10.1186/s13104-020-05379-6 PMC 바로가기 [Article Type] Research Note
Identification of novel PfDHODH inhibitors as antimalarial agents via pharmacophore-based virtual screening followed by molecular docking and in vivo antimalarial activityArticle Published on 2016-06-302024-09-09 Journal: SAR QSAR Environ Res [Category] 말라리아, [키워드] antimalarial agents GALAHAD molecular docking PfDHODH inhibitors pharmacophore modelling Virtual screening PMC 바로가기