Abstract
This chapter deals with the use of molecular topology (MT) in the selection and design of new drugs. After an introduction of the actual methods used for drug design, the basic concepts of MT are defined, including examples of calculation of topological indices, which are numerical descriptors of molecular structures. The goal is making this calculation familiar to the potential students and allowing a straightforward comprehension of the topic. Finally, the achievements obtained in this field are detailed, so that the reader can figure out the great interest of this approach.
Keywords: Molecular topology, drugs, drug design, topological indices, molecular structure, computer-aided drug discovery and development, virtual screening, chemical libraries, quantitative structure-activity relationships, quantitative structure-property relationships, molecular descriptors, connectivity indices, modeling, molecular design, molecular connectivity.
Related Books
A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Advances in Anticancer Agents in Medicinal Chemistry
Advances in Anticancer Agents in Medicinal Chemistry
Advances in Combinatorial Chemistry & High Throughput Screening
Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Advances in Organic Synthesis
Advances in Organic Synthesis
Advances in Organic Synthesis
Advances in Organic Synthesis
Advances in Organic Synthesis