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 …

[HTML][HTML] Integration of phytochemicals and phytotherapy into cancer precision medicine

T Efferth, MEM Saeed, E Mirghani, A Alim, Z Yassin… - Oncotarget, 2017 - ncbi.nlm.nih.gov
Abstract Concepts of individualized therapy in the 1970s and 1980s attempted to develop
predictive in vitro tests for individual drug responsiveness without reaching clinical routine …

Advances, opportunities, and challenges in methods for interrogating the structure activity relationships of natural products

CMF Ancajas, AS Oyedele, CM Butt… - Natural Product …, 2024 - pubs.rsc.org
Time span in literature: 1985-early 2024Natural products play a key role in drug discovery,
both as a direct source of drugs and as a starting point for the development of synthetic …

Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches

AP Das, SM Agarwal - Molecular Diversity, 2024 - Springer
Phytocompounds are a well-established source of drug discovery due to their unique
chemical and functional diversities. In the area of cancer therapeutics, several …

Algorithms for drug sensitivity prediction

C De Niz, R Rahman, X Zhao, R Pal - Algorithms, 2016 - mdpi.com
Precision medicine entails the design of therapies that are matched for each individual
patient. Thus, predictive modeling of drug responses for specific patients constitutes a …

Molecular networking as a dereplication strategy for monitoring metabolites of natural product treated cancer cells

YL Gao, YJ Wang, HH Chung, KC Chen… - Rapid …, 2020 - Wiley Online Library
Rationale Natural products have been great sources for drug discovery. However, the
structures of natural products are diverse and difficult to elucidate. Cordyceps militaris is a …

[PDF][PDF] Chemical composition, in vitro cytotoxic, and antibacterial activities of Moroccan medicinal plants Euphorbia resinifera and Marrubium vulgare

A Talbaoui, L El Hamdaoui… - … Res Appl Chem, 2020 - biointerfaceresearch.com
The purpose of our study was to bring elements of knowledge on the anticancer and
antibacterial effects of two plants, widely used in Moroccan traditional pharmacopeia. These …

PECAN Predicts Patterns of Cancer Cell Cytostatic Activity of Natural Products Using Deep Learning

M Gahl, HW Kim, E Glukhov, WH Gerwick… - Journal of natural …, 2024 - ACS Publications
Many machine learning techniques are used as drug discovery tools with the intent to speed
characterization by determining relationships between compound structure and biological …

dbMCS: A database for exploring the mutation markers of anti-cancer drug sensitivity

Y Shen, Y Zhang, W Xue, Z Yue - IEEE Journal of Biomedical …, 2021 - ieeexplore.ieee.org
The identification of mutation markers and the selection of appropriate treatment for patients
with specific genome mutations are important steps in the development of targeted therapies …