Discovery of Diphenylsilane Compounds as Potential Inhibitors of Zn-Metalloproteinase Thermolysin Using Artificial Neural Networks.

Journal: Current topics in medicinal chemistry
Published Date: May 7, 2025

Abstract

INTRODUCTION/OBJECTIVE: Artificial neural networks are very powerful machine learning and artificial intelligence tools for computer-aided drug discovery. This method offers advantages over traditional approaches related to saving time and money. The aim of this work is to develop machine-learning artificial neural networks for computer-aided discovery of potential thermolysin metalloprotease inhibitor drug candidates.

Authors

  • Yudith Cañizares-Carmenate
    Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatic Research (CAMD-BIR Unit), Facultad de Química-Farmacia, Universidad Central "Marta Abreu" de Las Villas, Santa Clara 54830, Villa Clara, Cuba.
  • Facundo Perez Gimenez
    Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, España.
  • Roberto Diaz-Amador
    Laboratorio de Bioinformática y Química Computacional, Departamento de Medicina Traslacional, Facultad de Medicina, Universidad Católica del Maule, Avenida San Miguel, Talca, Chile.
  • Francisco Torrens
    Institut Universitari de Ciència Molecular, Universitat de València, Edifici d' Instituts de Paterna, P,O, Box 22085, València, Spain.
  • Juan A Castillo-Garit
    Instituto Universitario de Investigación y Desarrollo Tecnológico (IDT), Universidad Tecnológica Metropolitana, Ignacio Valdivieso 2409, San Joaquín, Santiago, Chile.

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