Iterative Optimization and Structure-Activity Relationship Studies of Oseltamivir Amino Derivatives as Potent and Selective Neuraminidase Inhibitors

Antiviral Agents / chemistry Drug Resistance, Viral Enzyme Inhibitors / chemistry Guanidines / pharmacology Humans Influenza A Virus, H1N1 Subtype Influenza A Virus, H5N1 Subtype Molecular Docking Simulation Neuraminidase Oseltamivir / chemistry Structure-Activity Relationship

Journal

Journal of medicinal chemistry
ISSN: 1520-4804
Titre abrégé: J Med Chem
Pays: United States
ID NLM: 9716531

Informations de publication

Date de publication:
08 09 2022
Historique:
pubmed: 9 8 2022
medline: 11 9 2022
entrez: 8 8 2022
Statut: ppublish

Résumé

With our continuous endeavors in seeking neuraminidase (NA) inhibitors, we reported herein three series of novel oseltamivir amino derivatives with the goal of exploring the druggable chemical space inside the 150-cavity of influenza virus NAs. Among them, around half of the compounds in

Identifiants

DOI: 10.1021/acs.jmedchem.1c01970 PMID: 35939763
pubmed: 35939763
doi: 10.1021/acs.jmedchem.1c01970
doi:

Substances chimiques

Antiviral Agents 0
Enzyme Inhibitors 0
Guanidines 0
Oseltamivir 20O93L6F9H
Neuraminidase EC 3.2.1.18

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

11550-11573

Auteurs

Han Ju (H)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Lingxin Hou (L)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Fabao Zhao (F)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.
ORCID: 0000-0001-7717-0655

Ying Zhang (Y)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Ruifang Jia (R)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Laura Guizzo (L)

Department of Molecular Medicine, University of Padova, Via Gabelli 63, 35121 Padova, Italy.

Anna Bonomini (A)

Department of Molecular Medicine, University of Padova, Via Gabelli 63, 35121 Padova, Italy.

Jiwei Zhang (J)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Zhen Gao (Z)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Ruipeng Liang (R)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Chiara Bertagnin (C)

Department of Molecular Medicine, University of Padova, Via Gabelli 63, 35121 Padova, Italy.

Xiujie Kong (X)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Xiuli Ma (X)

Institute of Poultry Science, Shandong Academy of Agricultural Sciences, 202 North Gongye Road, 250100 Jinan, Shandong, P. R. China.

Dongwei Kang (D)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.

Arianna Loregian (A)

Department of Molecular Medicine, University of Padova, Via Gabelli 63, 35121 Padova, Italy.

Bing Huang (B)

Institute of Poultry Science, Shandong Academy of Agricultural Sciences, 202 North Gongye Road, 250100 Jinan, Shandong, P. R. China.

Xinyong Liu (X)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.
ORCID: 0000-0002-7302-2214

Peng Zhan (P)

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, P. R. China.
ORCID: 0000-0002-9675-6026

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Résistance aux substances › Résistance microbienne aux médicaments › Résistance virale aux médicaments › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Composés chimiques organiques › Amidines › Guanidines › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN de polarité négative › Orthomyxoviridae › Influenzavirus A › Virus de la grippe A › Sous-type H1N1 du virus de la grippe A › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN de polarité négative › Orthomyxoviridae › Influenzavirus A › Virus de la grippe A › Sous-type H5N1 du virus de la grippe A › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Glycosidases › Sialidase › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Hydrocarbures cycliques › Hydrocarbures alicycliques › Cyclohexanes › Cyclohexènes › Oséltamivir › Iterative Optimization and Structure-Activity...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › Iterative Optimization and Structure-Activity...