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 …

[HTML][HTML] Systems pharmacology approaches in herbal medicine research: a brief review

M Lee, H Shin, M Park, A Kim, S Cha, H Lee - BMB reports, 2022 - ncbi.nlm.nih.gov
Herbal medicine, a multi-component treatment, has been extensively practiced for treating
various symptoms and diseases. However, its molecular mechanism of action on the human …

EGFR and ERK activation resists flavonoid quercetin‑induced anticancer activities in human cervical cancer cells in vitro

X Chen, P Xu, H Zhang, X Su, L Guo… - Oncology …, 2021 - spandidos-publications.com
In the present study, due to the complex and numerous targets of Sarcandrae Herb (also
known as Zhong Jie Feng), network pharmacology was performed to analyze its therapeutic …

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 …

Advances in Machine Learning Screening of Food Bioactive Compounds

Y Zhang, X Bao, Y Zhu, Z Dai, Q Shen, Y Xue - Trends in Food Science & …, 2024 - Elsevier
Background Food contains abundant bioactive compounds that play a crucial role in human
health. However, conventional methods for screening food bioactive compounds (FBCs) are …

Natural compounds for preventing ear, nose, and throat-related oral infections

AG Niculescu, AM Grumezescu - Plants, 2021 - mdpi.com
Oral health is an essential element in maintaining general well-being. By preserving the
complex equilibrium within the oral microbial community, commensal microorganisms can …

Graph neural networks as a potential tool in improving virtual screening programs

LA Alves, NCS Ferreira, V Maricato, AVP Alberto… - Frontiers in …, 2022 - frontiersin.org
Despite the increasing number of pharmaceutical companies, university laboratories and
funding, less than one percent of initially researched drugs enter the commercial market. In …

[HTML][HTML] Computational modeling approaches for developing a synergistic effect prediction model of estrogen agonistic activity

M Seo, J Choi, J Park, WJ Yu, S Kim - Chemosphere, 2024 - Elsevier
The concerns regarding the potential health threats caused by estrogenic endocrine-
disrupting chemicals (EDCs) and their mixtures manufactured by the chemical industry are …

Phytochemicals in Pancreatic Cancer Treatment: A Machine Learning Study

DE Genc, O Ozbek, B Oral, R Yıldırım, N Ileri Ercan - ACS omega, 2023 - ACS Publications
The discovery of new strategies and novel therapeutic agents is crucial to improving the
current treatment methods and increasing the efficacy of cancer therapy. Phytochemicals …

Artifical intelligence: a virtual chemist for natural product drug discovery

S Arora, S Chettri, V Percha, D Kumar… - Journal of Biomolecular …, 2024 - Taylor & Francis
Nature is full of a bundle of medicinal substances and its product perceived as a prerogative
structure to collaborate with protein drug targets. The natural product's (NPs) structure …