Bioactive structures for inhibitors of Candida auris polymerase enzyme by artificial intelligence

Present new bioactive compounds, created by De novo Drug Design and artificial intelligence (AI), as possible inhibitors of polymerase. MolAICal's AI module was configured to identify FDA-approved molecular fragments with therapeutic effectiveness against polymerase, where the model with optimi...

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Vydáno v:	Future medicinal chemistry Ročník 17; číslo 8; s. 869
Hlavní autoři:	Pinto, Francisco Das Chagas Lima, Cabongo, Sadrack Queque, João, Pedro Paulino, Lima, Maria Do Socorro Pereira Costa, Paiva, Maria Mabelle Pereira Costa, Madureira, Junilson Martinho Canjanja, Caluaco, Bernardino Joaquim, Colares, Regilany Paulo, Neto, Moises Maia, Dos Santos, Hélcio Silva, Marinho, Emmanuel Silva, da Fonseca, Aluísio Marques
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	England 18.04.2025
Témata:	Antifungal Agents - chemistry Antifungal Agents - pharmacology Artificial Intelligence Candida - drug effects Candida - enzymology Drug Design Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Humans Molecular Docking Simulation Molecular Dynamics Simulation Molecular Structure deep learning molecular docking molecular dynamics Protease superfungo
ISSN:	1756-8927, 1756-8927
On-line přístup:	Zjistit podrobnosti o přístupu
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