Literature DB >> 10419843

Pharmacokinetics and metabolism in early drug discovery.

D A Smith1, H van de Waterbeemd.   

Abstract

The need for high-throughput approaches in absorption, distribution, metabolism and excretion studies is driven by the impact of high-speed chemistry and pharmacological screening. Perhaps an even greater impact is that these studies will, in the future, provide large data sets that can be used to predict biological events related to absorption, bioavailability and metabolism of drugs. Through linking of in silico and in vitro methods, considerable progress has recently been made towards this future perspective. Despite this progress, these approaches do not yet replace in vivo methods.

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Year:  1999        PMID: 10419843     DOI: 10.1016/s1367-5931(99)80056-8

Source DB:  PubMed          Journal:  Curr Opin Chem Biol        ISSN: 1367-5931            Impact factor:   8.822


  16 in total

1.  A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism.

Authors:  G M Keseru
Journal:  J Comput Aided Mol Des       Date:  2001-07       Impact factor: 3.686

2.  Photothermal response of human and murine cancer cells to multiwalled carbon nanotubes after laser irradiation.

Authors:  Jessica W Fisher; Saugata Sarkar; Cara F Buchanan; Christopher S Szot; Jon Whitney; Heather C Hatcher; Suzy V Torti; Christopher G Rylander; Marissa Nichole Rylander
Journal:  Cancer Res       Date:  2010-11-23       Impact factor: 12.701

3.  Water-oil partition profiling of ionized drug molecules using cyclic voltammetry and a 96-well microfilter plate system.

Authors:  Sorina M Ulmeanu; Henrik Jensen; Géraldine Bouchard; Pierre-Alain Carrupt; Hubert H Girault
Journal:  Pharm Res       Date:  2003-08       Impact factor: 4.200

4.  In silico modeling of non-linear drug absorption for the P-gp substrate talinolol and of consequences for the resulting pharmacodynamic effect.

Authors:  Marija Tubic; Daniel Wagner; Hilde Spahn-Langguth; Michael B Bolger; Peter Langguth
Journal:  Pharm Res       Date:  2006-08       Impact factor: 4.200

5.  Density functional and molecular docking studies towards investigating the role of single-wall carbon nanotubes as nanocarrier for loading and delivery of pyrazinamide antitubercular drug onto pncA protein.

Authors:  Nabanita Saikia; Sanchaita Rajkhowa; Ramesh C Deka
Journal:  J Comput Aided Mol Des       Date:  2013-02-15       Impact factor: 3.686

Review 6.  Pharmacokinetics of artemisinin-type compounds.

Authors:  V Navaratnam; S M Mansor; N W Sit; J Grace; Q Li; P Olliaro
Journal:  Clin Pharmacokinet       Date:  2000-10       Impact factor: 6.447

7.  Enone- and chalcone-chloroquinoline hybrid analogues: in silico guided design, synthesis, antiplasmodial activity, in vitro metabolism, and mechanistic studies.

Authors:  Eric M Guantai; Kanyile Ncokazi; Timothy J Egan; Jiri Gut; Philip J Rosenthal; Ravi Bhampidipati; Anitha Kopinathan; Peter J Smith; Kelly Chibale
Journal:  J Med Chem       Date:  2011-05-05       Impact factor: 7.446

8.  Computational approaches for modeling human intestinal absorption and permeability.

Authors:  Govindan Subramanian; Douglas B Kitchen
Journal:  J Mol Model       Date:  2006-04-01       Impact factor: 1.810

9.  Fluorinated lipid constructs permit facile passage of molecular cargo into living cells.

Authors:  Laila Dafik; Venkateshwarlu Kalsani; Anthony Kar Lun Leung; Krishna Kumar
Journal:  J Am Chem Soc       Date:  2009-09-02       Impact factor: 15.419

10.  Engineering cytochrome-modified silica nanoparticles to induce programmed cell death.

Authors:  Wen-Yen Huang; Gemma-Louise Davies; Jason J Davis
Journal:  Chemistry       Date:  2013-11-18       Impact factor: 5.236

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