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 …
protein drug targets. Their unique characteristics and structural diversity continue to marvel …
[HTML][HTML] Systems pharmacology approaches in herbal medicine research: a brief review
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 …
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 …
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
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 …
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 …
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 …
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 …
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 …
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 …
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 …
structure to collaborate with protein drug targets. The natural product's (NPs) structure …