In Silico Tools in PROTACs design

TL;DR

This paper reviews recent computational in silico tools that aim to accelerate and improve the design process of PROTACs, a promising therapeutic modality, by supplementing traditional experimental methods.

Contribution

It provides a concise summary of recent in silico tools developed for PROTACs design, highlighting their potential to streamline drug development.

Findings

In silico tools can potentially reduce time and cost in PROTACs development.

Recent computational methods include molecular modeling and virtual screening techniques.

These tools complement experimental approaches to improve druggability assessment.

Abstract

PROTACs, as a highly promising new. therapeutic paradigm, have attracted widespread attention from the academic and pharmaceutical communities in recent years. To date, the design and validation of PROTACs molecule's druggability primarily rely on experimental approaches, making the development process of this kind of drug molecule time-consuming. Computer-aided tools for PROTACs design may offer a potential solution to expedite the design process and enhance its efficiency. This mini review briefly summarizes the in silico tools for PROTACs drug molecule design reported recently.