Structure‐based prediction of human intestinal membrane permeability for rapid in silico BCS classification

L Sun, X Liu, R Xiang, C Wu, Y Wang… - … & drug disposition, 2013 - Wiley Online Library
Human effective intestinal membrane permeability (Peff) is one of the two important
indicators for drug classification according to the Biopharmaceutical Classification System …

Constructing an in silico three-class predictor of human intestinal absorption with Caco-2 permeability and dried-DMSO solubility

T Esaki, R Ohashi, R Watanabe… - Journal of …, 2019 - Elsevier
Absorption of drugs is the first step after dosing, and it largely affects drug bioavailability.
Hence, estimating the fraction of absorption (Fa) in humans is important in the early stages …

Application of data mining approach to identify drug subclasses based on solubility and permeability

B Gatarić, J Parojčić - Biopharmaceutics & Drug Disposition, 2019 - Wiley Online Library
Solubility and permeability are recognized as key parameters governing drug intestinal
absorption and represent the basis for biopharmaceutics drug classification. The …

Distinguishing between the permeability relationships with absorption and metabolism to improve BCS and BDDCS predictions in early drug discovery

CA Larregieu, LZ Benet - Molecular pharmaceutics, 2014 - ACS Publications
The biopharmaceutics classification system (BCS) and biopharmaceutics drug distribution
classification system (BDDCS) are complementary classification systems that can improve …

Provisional in-silico biopharmaceutics classification (BCS) to guide oral drug product development

O Wolk, R Agbaria, A Dahan - Drug design, development and …, 2014 - Taylor & Francis
The main objective of this work was to investigate in-silico predictions of physicochemical
properties, in order to guide oral drug development by provisional biopharmaceutics …

Provisional Classification and in Silico Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

H Pham-The, T Garrigues, M Bermejo… - Molecular …, 2013 - ACS Publications
Today, early characterization of drug properties by the Biopharmaceutics Classification
System (BCS) has attracted significant attention in pharmaceutical discovery and …

Predicting passive permeability of drug-like molecules from chemical structure: where are we?

F Broccatelli, L Salphati, E Plise, J Cheong… - Molecular …, 2016 - ACS Publications
Intestinal absorption in human is routinely predicted in drug discovery using in vitro assays
such as permeability in the Madin-Darby canine kidney cell line. In silico models trained on …

Recent developments of in silico predictions of intestinal absorption and oral bioavailability

T Hou, Y Li, W Zhang, J Wang - Combinatorial Chemistry & …, 2009 - ingentaconnect.com
Among the absorption, distribution, metabolism, elimination, and toxicity properties
(ADMET), unfavorable oral bioavailability is indeed an important reason for stopping further …

Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

MÁ Cabrera‐Pérez, H Pham‐The… - … & Drug Disposition, 2018 - Wiley Online Library
The accuracy of the provisional estimation of the Biopharmaceutics Classification System
(BCS) is heavily influenced by the permeability measurement. In this study, several …

Theoretical investigation of passive intestinal membrane permeability using Monte Carlo method to generate drug-like molecule population

K Sugano - International journal of pharmaceutics, 2009 - Elsevier
The purpose of the present study was to investigate the effect of the physiological and
morphological differences between in vivo and in vitro systems on the estimation of in vivo …