Application of Ligand- and Structure-Based Prediction Models for the Design of Alkylhydrazide-Based HDAC3 Inhibitors as Novel Anti-Cancer Compounds.

Bülbül, Emre F; Robaa, Dina; Sun, Ping; Mahmoudi, Fereshteh; Melesina, Jelena; Zessin, Matthes; Schutkowski, Mike; Sippl, Wolfgang

Bülbül, Emre F; Robaa, Dina; Sun, Ping; Mahmoudi, Fereshteh; Melesina, Jelena; Zessin, Matthes; Schutkowski, Mike; Sippl, Wolfgang.

Afiliação

Bülbül EF; Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Robaa D; Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Sun P; Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Mahmoudi F; Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Melesina J; Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Zessin M; Department of Enzymology, Institute of Biotechnology, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Schutkowski M; Department of Enzymology, Institute of Biotechnology, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Sippl W; Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.

Pharmaceuticals (Basel) ; 16(7)2023 Jul 06.

Article em En | MEDLINE | ID: mdl-37513880

Palavras-chave

alkylhydrazide; atom-based QSAR; binding free energy; docking; histone deacetylases (HDAC); pharmacophore

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Pharmaceuticals (Basel) Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Alemanha

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