Natural product drug discovery in the artificial intelligence era

FI Saldívar-González, VD Aldas-Bulos… - Chemical …, 2022 - pubs.rsc.org
Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …

Machine learning-enabled genome mining and bioactivity prediction of natural products

Y Yuan, C Shi, H Zhao - ACS synthetic biology, 2023 - ACS Publications
Natural products (NPs) produced by microorganisms and plants are a major source of drugs,
herbicides, and fungicides. Thanks to recent advances in DNA sequencing, bioinformatics …

Machine learning approaches for elucidating the biological effects of natural products

R Zhang, X Li, X Zhang, H Qin, W Xiao - Natural Product Reports, 2021 - pubs.rsc.org
Covering: 2000 to 2020 Machine learning (ML) is an efficient tool for the prediction of
bioactivity and the study of structure–activity relationships. Over the past decade, an …

Direct on-chip differentiation of intestinal tubules from induced pluripotent stem cells

E Naumovska, G Aalderink, C Wong Valencia… - International journal of …, 2020 - mdpi.com
Intestinal organoids have emerged as the new paradigm for modelling the healthy and
diseased intestine with patient-relevant properties. In this study, we show directed …

Intestinal in vitro cell culture models and their potential to study the effect of food components on intestinal inflammation

MC Ponce de León-Rodríguez, JP Guyot… - Critical reviews in …, 2019 - Taylor & Francis
Cell cultures are widely used in pharmaceutical, medical, food/nutrition and biological
sciences. In food and nutrition science, intestinal cell culture models of human origin are …

Murine RAW 264.7 cell line as an immune target: are we missing something?

L Merly, SL Smith - Immunopharmacology and immunotoxicology, 2017 - Taylor & Francis
The popular murine macrophage cell line, RAW 264.7, is often used to initially screen
natural products for bioactivity and to predict their potential effect in vivo or on primary cells …

4-(3-Nitrophenyl) thiazol-2-ylhydrazone derivatives as antioxidants and selective hMAO-B inhibitors: synthesis, biological activity and computational analysis

D Secci, S Carradori, A Petzer, P Guglielmi… - Journal of Enzyme …, 2019 - Taylor & Francis
Abstract A new series of 4-(3-nitrophenyl) thiazol-2-ylhydrazone derivatives were designed,
synthesised, and evaluated to assess their inhibitory effect on the human monoamine …

Data considerations for predictive modeling applied to the discovery of bioactive natural products

HT Xue, M Stanley-Baker, AWK Kong, HL Li… - Drug discovery today, 2022 - Elsevier
Highlights•Natural products are an important source of therapeutic compounds.•Natural
product research can benefit greatly from advances in AI.•Knowledge integration is a limiting …

Virtual screening of natural products database

JA de Sousa Luis, RPC Barros… - Mini Reviews in …, 2021 - ingentaconnect.com
Constant research on natural products has generated, over time, a large number of
compounds with the potential to be evaluated in several biological tests and subsequently …

Latest advances in molecular topology applications for drug discovery

R Zanni, M Galvez-Llompart… - Expert opinion on …, 2015 - Taylor & Francis
Introduction: Molecular topology (MT) has emerged in recent years as a powerful approach
for the in silico generation of new drugs. In the last decade, its application has become more …