Literature DB >> 16952133

Prediction of ADMET Properties.

Ulf Norinder1, Christel A S Bergström.   

Abstract

This Review describes some of the approaches and techniques used today to derive in silico models for the prediction of ADMET properties. The article also discusses some of the fundamental requirements for deriving statistically sound and predictive ADMET relationships as well as some of the pitfalls and problems encountered during these investigations. It is the intension of the authors to make the reader aware of some of the challenges involved in deriving useful in silico ADMET models for drug development.

Mesh:

Substances:

Year:  2006        PMID: 16952133     DOI: 10.1002/cmdc.200600155

Source DB:  PubMed          Journal:  ChemMedChem        ISSN: 1860-7179            Impact factor:   3.466


  22 in total

1.  Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity.

Authors:  Dharmendra Kumar Yadav; Feroz Khan; Arvind Singh Negi
Journal:  J Mol Model       Date:  2011-10-27       Impact factor: 1.810

Review 2.  At the biological modeling and simulation frontier.

Authors:  C Anthony Hunt; Glen E P Ropella; Tai Ning Lam; Jonathan Tang; Sean H J Kim; Jesse A Engelberg; Shahab Sheikh-Bahaei
Journal:  Pharm Res       Date:  2009-09-09       Impact factor: 4.200

3.  Metabolism-directed structure optimization of benzimidazole-based Francisella tularensis enoyl-reductase (FabI) inhibitors.

Authors:  Yan-Yan Zhang; Yong Liu; Shahila Mehboob; Jin-Hua Song; Teuta Boci; Michael E Johnson; Arun K Ghosh; Hyunyoung Jeong
Journal:  Xenobiotica       Date:  2013-10-30       Impact factor: 1.908

4.  In vivo-in vitro-in silico pharmacokinetic modelling in drug development: current status and future directions.

Authors:  Olavi Pelkonen; Miia Turpeinen; Hannu Raunio
Journal:  Clin Pharmacokinet       Date:  2011-08       Impact factor: 6.447

5.  ADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockage.

Authors:  Sichao Wang; Youyong Li; Junmei Wang; Lei Chen; Liling Zhang; Huidong Yu; Tingjun Hou
Journal:  Mol Pharm       Date:  2012-03-16       Impact factor: 4.939

6.  From in silico hit to long-acting late-stage preclinical candidate to combat HIV-1 infection.

Authors:  Shalley N Kudalkar; Jagadish Beloor; Elias Quijano; Krasimir A Spasov; Won-Gil Lee; José A Cisneros; W Mark Saltzman; Priti Kumar; William L Jorgensen; Karen S Anderson
Journal:  Proc Natl Acad Sci U S A       Date:  2017-12-26       Impact factor: 11.205

7.  Simulation of in vitro dissolution behavior using DDDPlus™.

Authors:  May Almukainzi; Arthur Okumu; Hai Wei; Raimar Löbenberg
Journal:  AAPS PharmSciTech       Date:  2014-11-20       Impact factor: 3.246

Review 8.  Simulation Models for Prediction of Bioavailability of Medicinal Drugs-the Interface Between Experiment and Computation.

Authors:  Mahmoud E Soliman; Adeniyi T Adewumi; Oluwole B Akawa; Temitayo I Subair; Felix O Okunlola; Oluwayimika E Akinsuku; Shahzeb Khan
Journal:  AAPS PharmSciTech       Date:  2022-03-15       Impact factor: 3.246

Review 9.  Efficient drug lead discovery and optimization.

Authors:  William L Jorgensen
Journal:  Acc Chem Res       Date:  2009-06-16       Impact factor: 22.384

Review 10.  Artificial Intelligence and the Future of Diagnostic and Therapeutic Radiopharmaceutical Development:: In Silico Smart Molecular Design.

Authors:  Bahar Ataeinia; Pedram Heidari
Journal:  PET Clin       Date:  2021-08-05
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.