Advances in computationally modeling human oral bioavailability

Junmei Wang, Tingjun Hou

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Although significant progress has been made in experimental high throughput screening (HTS) of ADME (absorption, distribution, metabolism, excretion) and pharmacokinetic properties, the ADME and Toxicity (ADME-Tox) in silico modeling is still indispensable in drug discovery as it can guide us to wisely select drug candidates prior to expensive ADME screenings and clinical trials. Compared to other ADME-Tox properties, human oral bioavailability (HOBA) is particularly important but extremely difficult to predict. In this paper, the advances in human oral bioavailability modeling will be reviewed. Moreover, our deep insight on how to construct more accurate and reliable HOBA QSAR and classification models will also discussed.

Original languageEnglish (US)
Pages (from-to)11-16
Number of pages6
JournalAdvanced Drug Delivery Reviews
Volume86
DOIs
StatePublished - Jun 23 2015

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Biological Availability
Quantitative Structure-Activity Relationship
Drug Discovery
Computer Simulation
Pharmacokinetics
Clinical Trials
Pharmaceutical Preparations

Keywords

  • ADME-Tox
  • Human intestinal absorption (HIA)
  • Human oral bioavailability (HOBA)
  • In silico modeling computer-aided drug design
  • QSAR

ASJC Scopus subject areas

  • Pharmaceutical Science

Cite this

Advances in computationally modeling human oral bioavailability. / Wang, Junmei; Hou, Tingjun.

In: Advanced Drug Delivery Reviews, Vol. 86, 23.06.2015, p. 11-16.

Research output: Contribution to journalArticle

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