[HTML][HTML] Advancement in solubilization approaches: a step towards bioavailability enhancement of poorly soluble drugs

L Kumari, Y Choudhari, P Patel, GD Gupta, D Singh… - Life, 2023 - mdpi.com
A drug's aqueous solubility is defined as the ability to dissolve in a particular solvent, and it
is currently a major hurdle in bringing new drug molecules to the market. According to some …

[HTML][HTML] Systems pharmacology for investigation of the mechanisms of action of traditional Chinese medicine in drug discovery

W Zhang, Y Huai, Z Miao, A Qian… - Frontiers in pharmacology, 2019 - frontiersin.org
As a traditional medical intervention in Asia and a complementary and alternative medicine
in western countries, traditional Chinese medicine (TCM) has attracted global attention in …

[HTML][HTML] Best practices in current models mimicking drug permeability in the gastrointestinal tract-An UNGAP review

JP O'Shea, P Augustijns, M Brandl, DJ Brayden… - European Journal of …, 2022 - Elsevier
The absorption of orally administered drug products is a complex, dynamic process,
dependant on a range of biopharmaceutical properties; notably the aqueous solubility of a …

Explainable artificial intelligence: A taxonomy and guidelines for its application to drug discovery

I Ponzoni, JA Páez Prosper… - Wiley Interdisciplinary …, 2023 - Wiley Online Library
Artificial intelligence (AI) is having a growing impact in many areas related to drug discovery.
However, it is still critical for their adoption by the medicinal chemistry community to achieve …

Success stories of AI in drug discovery-where do things stand?

KK Mak, MK Balijepalli, MR Pichika - Expert opinion on drug …, 2022 - Taylor & Francis
Introduction Artificial intelligence (AI) in drug discovery and development (DDD) has gained
more traction in the past few years. Many scientific reviews have already been made …

An integrated transfer learning and multitask learning approach for pharmacokinetic parameter prediction

Z Ye, Y Yang, X Li, D Cao, D Ouyang - Molecular pharmaceutics, 2018 - ACS Publications
Background: Pharmacokinetic evaluation is one of the key processes in drug discovery and
development. However, current absorption, distribution, metabolism, and excretion …

Recent Studies of Artificial Intelligence on In Silico Drug Absorption

TTV Tran, H Tayara, KT Chong - Journal of Chemical Information …, 2023 - ACS Publications
Absorption is an important area of research in pharmacochemistry and drug development,
because the drug has to be absorbed before any drug effects can occur. Furthermore, the …

ADME prediction with KNIME: development and validation of a publicly available workflow for the prediction of human oral bioavailability

G Falcón-Cano, C Molina… - Journal of chemical …, 2020 - ACS Publications
In silico prediction of human oral bioavailability is a relevant tool for the selection of potential
drug candidates and for the rejection of those molecules with less probability of success …

CMAUP database update 2024: extended functional and association information of useful plants for biomedical research

D Hou, H Lin, Y Feng, K Zhou, X Li, Y Yang… - Nucleic Acids …, 2024 - academic.oup.com
Abstract Knowledge of the collective activities of individual plants together with the derived
clinical effects and targeted disease associations is useful for plant-based biomedical …

[HTML][HTML] Antibiotics may increase triazine herbicide exposure risk via disturbing gut microbiota

J Zhan, Y Liang, D Liu, X Ma, P Li, C Liu, X Liu, P Wang… - Microbiome, 2018 - Springer
Background Antibiotics are commonly used worldwide, and pesticide is a kind of xenobiotic
to which humans are frequently exposed. The interactive impact of antibiotics on pesticides …