This study aims to design some dual-target anticancer candidates, capable to act as an alkylating agent as well as a thymidylate synthase (TS) inhibitor. The designed scaffold is a combination of nucleobase, amino acid and aziridine structures. The candidates are docked into TS and three DNA double strand structures and evaluated based on their binding interaction energies and ligand efficienci...

Amir Aharoni, Department of Life Sciences and the National Institute for Biotechnology in the Negev (NIBN), Ben-Gurion University, Beer-Sheva, Israel. The size of the microbial world is beyond our imagination. In last year’s crystal ball article, Tom Curtis compared the size of the microbial world to the size of the universe pointing out that the number of microorganisms in the world is billion...

In this article, current knowledge of drug design is reviewed and an approach of rational drug design is presented. The process of drug development is challenging, expensive, and time consuming, although this process has been accelerated due to the development of computational tools and methodologies. The current target based drug design approach is incomplete because most of the drugs develope...