[HTML][HTML] In vitro models replicating the human intestinal epithelium for absorption and metabolism studies: A systematic review

A Fedi, C Vitale, G Ponschin, S Ayehunie… - Journal of Controlled …, 2021 - Elsevier
Absorption, distribution, metabolism and excretion (ADME) studies represent a fundamental
step in the early stages of drug discovery. In particular, the absorption of orally administered …

ADMET in silico modelling: towards prediction paradise?

H Van De Waterbeemd, E Gifford - Nature reviews Drug discovery, 2003 - nature.com
Following studies in the late 1990s that indicated that poor pharmacokinetics and toxicity
were important causes of costly late-stage failures in drug development, it has become …

[HTML][HTML] Essential oils as an effective alternative for the treatment of COVID-19: Molecular interaction analysis of protease (Mpro) with pharmacokinetics and …

S Panikar, G Shoba, M Arun, JJ Sahayarayan… - Journal of Infection and …, 2021 - Elsevier
Background The current health concern to the entire world is the chronic respiratory disease
caused by coronavirus 2 (COVID-19). A specific treatment or proper therapy is still lacking …

BDDCS applied to over 900 drugs

LZ Benet, F Broccatelli, TI Oprea - The AAPS journal, 2011 - Springer
Here, we compile the Biopharmaceutics Drug Disposition Classification System (BDDCS)
classification for 927 drugs, which include 30 active metabolites. Of the 897 parent drugs …

Coexistence of passive and carrier-mediated processes in drug transport

K Sugano, M Kansy, P Artursson, A Avdeef… - Nature reviews Drug …, 2010 - nature.com
The permeability of biological membranes is one of the most important determinants of the
pharmacokinetic processes of a drug. Although it is often accepted that many drug …

A bioavailability score

YC Martin - Journal of medicinal chemistry, 2005 - ACS Publications
Responding to a demonstrated need for scientists to forecast the permeability and
bioavailability (F) properties of compounds before their purchase, synthesis, or advanced …

[图书][B] COSMO-RS: from quantum chemistry to fluid phase thermodynamics and drug design

A Klamt - 2005 - books.google.com
The COSMO-RS technique is a novel method for predicting the thermodynamic properties of
pure and mixed fluids which are important in many areas, ranging from chemical …

Artificial intelligence in drug discovery: a comprehensive review of data-driven and machine learning approaches

H Kim, E Kim, I Lee, B Bae, M Park, H Nam - … and Bioprocess Engineering, 2020 - Springer
As expenditure on drug development increases exponentially, the overall drug discovery
process requires a sustainable revolution. Since artificial intelligence (AI) is leading the …

A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria

MA Phillips, J Lotharius, K Marsh, J White… - Science translational …, 2015 - science.org
Malaria is one of the most significant causes of childhood mortality, but disease control
efforts are threatened by resistance of the Plasmodium parasite to current therapies …

Carrier-mediated cellular uptake of pharmaceutical drugs: an exception or the rule?

PD Dobson, DB Kell - Nature reviews Drug discovery, 2008 - nature.com
It is generally thought that many drug molecules are transported across biological
membranes via passive diffusion at a rate related to their lipophilicity. However, the types of …