The cyclin dependent kinases (CDKs) are a small family of serine/threonine protein kinases that can act as a potential therapeutic target in several proliferative diseases, including cancer. This short review is a survey on the more recent research progresses in the field achieved by using in silico methods. All the "armamentarium" available to the medicinal chemists (docking protocols and molecular dynamics, fragment-based, de novo design, virtual screening, and QSAR) has been employed to the discovery of new, potent, and selective inhibitors of cyclin dependent kinases. The results cited herein can be useful to understand the nature of the inhibitor-target interactions, and furnish an insight on the structural/molecular requirements necessary to achieve the required selectivity against cyclin dependent kinases over other types of kinases.

Tutone, M., Almerico, A. (2017). Recent advances on CDK inhibitors: An insight by means of in silico methods. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 142, 300-315 [10.1016/j.ejmech.2017.07.067].

Recent advances on CDK inhibitors: An insight by means of in silico methods

Tutone, Marco
Membro del Collaboration Group
;
Almerico, Anna Maria
2017-01-01

Abstract

The cyclin dependent kinases (CDKs) are a small family of serine/threonine protein kinases that can act as a potential therapeutic target in several proliferative diseases, including cancer. This short review is a survey on the more recent research progresses in the field achieved by using in silico methods. All the "armamentarium" available to the medicinal chemists (docking protocols and molecular dynamics, fragment-based, de novo design, virtual screening, and QSAR) has been employed to the discovery of new, potent, and selective inhibitors of cyclin dependent kinases. The results cited herein can be useful to understand the nature of the inhibitor-target interactions, and furnish an insight on the structural/molecular requirements necessary to achieve the required selectivity against cyclin dependent kinases over other types of kinases.
2017
Tutone, M., Almerico, A. (2017). Recent advances on CDK inhibitors: An insight by means of in silico methods. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 142, 300-315 [10.1016/j.ejmech.2017.07.067].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10447/246296
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