Literature DB >> 22734705

Introduction to molecular topology: basic concepts and application to drug design.

Jorge Gálvez1, María Gálvez-Llompart, Ramón García-Domenech.   

Abstract

In this review it is dealt 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.

Mesh:

Substances:

Year:  2012        PMID: 22734705     DOI: 10.2174/157340912801619094

Source DB:  PubMed          Journal:  Curr Comput Aided Drug Des        ISSN: 1573-4099            Impact factor:   1.606


  4 in total

1.  Predicting antiprotozoal activity of benzyl phenyl ether diamine derivatives through QSAR multi-target and molecular topology.

Authors:  Ramon Garcia-Domenech; Riccardo Zanni; Maria Galvez-Llompart; Jorge Galvez
Journal:  Mol Divers       Date:  2015-03-10       Impact factor: 2.943

Review 2.  Alzheimer: A Decade of Drug Design. Why Molecular Topology can be an Extra Edge?

Authors:  Riccardo Zanni; Ramon Garcia-Domenech; Maria Galvez-Llompart; Jorge Galvez
Journal:  Curr Neuropharmacol       Date:  2018       Impact factor: 7.363

3.  Novel cancer chemotherapy hits by molecular topology: dual Akt and Beta-catenin inhibitors.

Authors:  Riccardo Zanni; Maria Galvez-Llompart; Cecilia Morell; Nieves Rodríguez-Henche; Inés Díaz-Laviada; Maria Carmen Recio-Iglesias; Ramon Garcia-Domenech; Jorge Galvez
Journal:  PLoS One       Date:  2015-04-24       Impact factor: 3.240

4.  Prediction on the inhibition ratio of pyrrolidine derivatives on matrix metalloproteinase based on gene expression programming.

Authors:  Yuqin Li; Guirong You; Baoxiu Jia; Hongzong Si; Xiaojun Yao
Journal:  Biomed Res Int       Date:  2014-05-22       Impact factor: 3.411

  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.