Video Experimental Relacionado

Updated: Feb 26, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

Marco de trabajo generativo impulsado por IA que integra ML-QSAR y aprendizaje de fragmentos para el diseño de

Harshit Sajal¹, Aswin Mohan¹, Rajesh Raju¹

¹Centre for Integrative Omics Data Science (CIODS), Yenepoya (Deemed to be) University, Mangalore, Karnataka, 575018, India.

Molecular diversity

|February 25, 2026

Resumen

El desarrollo de nuevos inhibidores de la fosfoinositida 3-quinasa (PI3K) con alta selectividad isoforma es crucial para el tratamiento del cáncer y las enfermedades inmunitarias. Un marco de IA que integra el aprendizaje automático y la química generativa diseñó con éxito prometedores inhibidores de PI3K.

Palabras clave:

FREED++Descubrimiento de fármacos basado en fragmentos Inhibidores isoforma-selectivos Aprendizaje automático Isoformas de PI3K QSAR

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