The topology of drug-target interaction networks: implicit dependence on drug properties and target families.

نویسندگان

  • Jordi Mestres
  • Elisabet Gregori-Puigjané
  • Sergi Valverde
  • Ricard V Solé
چکیده

The availability of interaction data between small molecule drugs and protein targets has increased substantially in recent years. Using seven different databases, we were able to assemble a total of 4767 unique interactions between 802 drugs and 480 targets, which means that on average every drug is currently acknowledged to interact with 6 targets. The application of network theory to the analysis of these data reveals an unexpectedly complex picture of drug-target interactions. The results confirm that the topology of drug-target networks depends implicitly on data completeness, drug properties, and target families. The implications for drug discovery are discussed.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies

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...

متن کامل

A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations

To improve drug selectivity toward target cells, one interesting approach for drug delivery is to use polymer nanoparticles. A two-layered ONIOM Becke3- LYP: UFF calculation was carried out to study the structural and thermodynamic properties of the interaction between acetamide derivatives and the PCA-PEG-PCA copolymers. The Interaction enthalpies and the Gibbs free energies between acetamide ...

متن کامل

Evaluation of antioxidant and anti-cancer properties of curcumin / beta- and gamma-cyclodextrin complexes modified with chitosan nanoparticles on lung cancer cell A549

The aim of this study was to investigate the interaction modification of curcumin complex molecule (CUR) in beta- and gamma-cyclodextrin (β-CD and γ-CD) carriers with chitosan (CS) nanoparticles for targeted drug delivery and to compare their performance. The targeted drug delivery system includes the therapeutic agent of the CS nanoparticles targeting section of the same drug and the CD carrie...

متن کامل

Prediction of drug–target interaction networks from the integration of chemical and genomic spaces

MOTIVATION The identification of interactions between drugs and target proteins is a key area in genomic drug discovery. Therefore, there is a strong incentive to develop new methods capable of detecting these potential drug-target interactions efficiently. RESULTS In this article, we characterize four classes of drug-target interaction networks in humans involving enzymes, ion channels, G-pr...

متن کامل

Proteomics Applications in Health: Biomarker and Drug Discovery and Food Industry

Advancing in genome sequencing has greatly propelled the understanding of the living world, however, it is insufficient for full description of a biological system. Focusing on, proteomics has emerged as another large-scale platform for improving the understanding of biology. Proteomic experiments can be used for different aspects of clinical and health sciences such as food technology, biomark...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Molecular bioSystems

دوره 5 9  شماره 

صفحات  -

تاریخ انتشار 2009