[HTML][HTML] Network pharmacology approach for medicinal plants: review and assessment

F Noor, M Tahir ul Qamar, UA Ashfaq, A Albutti… - Pharmaceuticals, 2022 - mdpi.com
Natural products have played a critical role in medicine due to their ability to bind and
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …

Deep learning for drug repurposing: Methods, databases, and applications

X Pan, X Lin, D Cao, X Zeng, PS Yu… - Wiley …, 2022 - Wiley Online Library
Drug development is time‐consuming and expensive. Repurposing existing drugs for new
therapies is an attractive solution that accelerates drug development at reduced …

Bioinformatics approaches to discovering food-derived bioactive peptides: Reviews and perspectives

Z Du, J Comer, Y Li - TrAC Trends in Analytical Chemistry, 2023 - Elsevier
Food-derived bioactive peptides (FBPs) are gaining interest due to their great potential in
agricultural byproduct valorization and high-activity peptide screening. The introduction of …

[HTML][HTML] Potential compound from herbal food of Rhizoma Polygonati for treatment of COVID-19 analyzed by network pharmacology: Viral and cancer signaling …

C Mu, Y Sheng, Q Wang, A Amin, X Li, Y Xie - Journal of Functional Foods, 2021 - Elsevier
Abstract Rhizoma Polygonati (huangjing in Chinese, 黄精) is a medicine food homology
herb used as a component of traditional Chinese medicine treating COVID-19 in the current …

Artificial intelligence, machine learning, and drug repurposing in cancer

Z Tanoli, M Vähä-Koskela… - Expert opinion on drug …, 2021 - Taylor & Francis
Introduction: Drug repurposing provides a cost-effective strategy to re-use approved drugs
for new medical indications. Several machine learning (ML) and artificial intelligence (AI) …

Machine learning classification can reduce false positives in structure-based virtual screening

YO Adeshina, EJ Deeds… - Proceedings of the …, 2020 - National Acad Sciences
With the recent explosion in the size of libraries available for screening, virtual screening is
positioned to assume a more prominent role in early drug discovery's search for active …

Synthesis, molecular docking, and in silico ADME/Tox profiling studies of new 1-aryl-5-(3-azidopropyl) indol-4-ones: Potential inhibitors of SARS CoV-2 main protease

FX Domínguez-Villa, NA Durán-Iturbide… - Bioorganic …, 2021 - Elsevier
The virus SARS CoV-2, which causes the respiratory infection COVID-19, continues its
spread across the world and to date has caused more than a million deaths. Although …

Network pharmacology-based approach to understand the effect and mechanism of Danshen against anemia

S He, T Wang, C Shi, Z Wang, X Fu - Journal of ethnopharmacology, 2022 - Elsevier
Ethnopharmacological relevance Danshen, the dried rhizome of Salvia miltiorrhiza Bge., is
widely used to treat cardio-cerebrovascular diseases in China. However, its role in …

Erianin, the main active ingredient of Dendrobium chrysotoxum Lindl, inhibits precancerous lesions of gastric cancer (PLGC) through suppression of the HRAS-PI3K …

Y Wang, F Chu, J Lin, Y Li, N Johnson, J Zhang… - Journal of …, 2021 - Elsevier
Abstract Ethnopharmacological relevance Dendrobium chrysotoxum Lindl, a well-known
traditional Chinese medicinal herb used in the treatment of gastric disease, is distinguished …

SwissParam 2023: a modern web-based tool for efficient small molecule parametrization

M Bugnon, M Goullieux, UF Röhrig… - Journal of Chemical …, 2023 - ACS Publications
Most steps of drug discovery are now routinely supported and accelerated by computer-
aided drug design tools. Among them, structure-based approaches use the three …