# Current Computational Approaches for the Discovery of Novel Anticancer Agents Targeting VEGFR and SIRT Signaling Pathways

## TL;DR

This review explores how computational methods can help design new cancer drugs that target VEGFR and SIRT pathways for better treatment outcomes.

## Contribution

The paper introduces the use of dual-target inhibitors for VEGFR and SIRT pathways using computational drug design techniques.

## Key findings

- VEGFR and SIRT pathways play key roles in cancer progression and immune response.
- Dual-target inhibitors show potential to improve therapeutic outcomes by targeting both pathways simultaneously.
- CADD enables efficient design of novel chemotypes for epigenetic dual-target inhibitors.

## Abstract

Numerous scientific studies highlight the crucial role of common genetic and epigenetic factors in the development and progression of cancer. To deepen our understanding of how different VEGFR and epigenetic pathways interact in carcinogenesis, the current review examines novel therapeutic agents that target various molecular mechanisms involved in this complex disease. Growing evidence from scientific studies suggests that VEGFR and epigenetic signaling pathways contribute to complex pathophysiological changes in cancer. Therefore, simultaneously targeting VEGFR and epigenetic factors, such as sirtuins, by developing dual inhibitors could provide more individualized therapeutic approaches with safer and more effective outcomes. In this context, Computer-Aided Drug Design (CADD) offers a comprehensive suite of bioinformatic, chemoinformatic, and chemometric approaches to design novel chemotypes of epigenetic dual-target inhibitors. This facilitates the efficient discovery of new drug candidates, enabling innovative treatments for these multifactorial diseases. The review also explores the detailed anticancer mechanisms by which VEGFR, SIRT, and dual-target inhibitors modify metastatic and tumorigenic properties, affect the tumor microenvironment, and regulate the immune response.