Products Cited in Publications Worldwide Búsqueda de compuestos moduladores del receptor LRH-1 con fines terapéuticos: una aproximación in silico

Búsqueda de compuestos moduladores del receptor LRH-1 con fines terapéuticos: una aproximación in silico

Gil Martín, Guillermo

Abstract

The liver receptor homologue 1 or , also known as NR5A2, is a nuclear receptor that acts as a transcription factor, promoting the transcription of genes involved in various processes such as metabolism, growth, and cell differentiation. Its therapeutic potential has been demonstrated in multiple studies, thus, the development of drugs that target could be a new opportunity for the treatment of cancerous, metabolic, and immune diseases. In this work we have searched for new molecules that are capable of binding to this receptor through a virtual screening strategy, using several molecular docking programs and consensus methods that improve search performance. All with the aim of finding potential activators or inhibitors of the receptor from a library of natural compounds commercially available and to be able to bring these molecules to experimental assays. Analyzing the computational results, five candidate ligands whose pharmacokinetic properties are favorable have been proposed, thus suggesting that in the future, in vitro and in vivo bioassays could be carried out to verify their therapeutic potential for the treatment of the aforementioned diseases.

Keywords

; cancer ; ; virtual screening ; bioavailability ; drug discovery

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Sec-O-Glucosylhamaudol

A31015180681-44-399%

Sec-O-Glucosylhamaudol

125.0/50mg

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