[HTML][HTML] Comprehensive survey of recent drug discovery using deep learning

J Kim, S Park, D Min, W Kim - International Journal of Molecular Sciences, 2021 - mdpi.com
Drug discovery based on artificial intelligence has been in the spotlight recently as it
significantly reduces the time and cost required for develo** novel drugs. With the …

Cheminformatics in natural product‐based drug discovery

Y Chen, J Kirchmair - Molecular Informatics, 2020 - Wiley Online Library
This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …

IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants

RP Vivek-Ananth, K Mohanraj, AK Sahoo, A Samal - ACS omega, 2023 - ACS Publications
Compilation, curation, digitization, and exploration of the phytochemical space of Indian
medicinal plants can expedite ongoing efforts toward natural product and traditional …

Phytotoxic fungal secondary metabolites as herbicides

A Bendejacq‐Seychelles… - Pest Management …, 2024 - Wiley Online Library
Among the alternatives to synthetic plant protection products, biocontrol appears as a
promising method. This review reports on the diversity of fungal secondary metabolites …

Predicting the reproductive toxicity of chemicals using ensemble learning methods and molecular fingerprints

H Feng, L Zhang, S Li, L Liu, T Yang, P Yang, J Zhao… - Toxicology Letters, 2021 - Elsevier
Reproductive toxicity endpoints are a significant safety concern in the assessment of the
adverse effects of chemicals in drug discovery. Computational models that can accurately …

Analysis of a large food chemical database: chemical space, diversity, and complexity

JJ Naveja, MP Rico-Hidalgo… - …, 2018 - pmc.ncbi.nlm.nih.gov
Background: Food chemicals are a cornerstone in the food industry. However, its chemical
diversity has been explored on a limited basis, for instance, previous analysis of food-related …

Erinacine A and related cyathane diterpenoids: Molecular diversity and mechanisms underlying their neuroprotection and anticancer activities

C Bailly, JM Gao - Pharmacological Research, 2020 - Elsevier
The presence of a fused 5/6/7 tricyclic core characterizes the group of cyathane diterpene
natural products, that include more than 170 compounds, isolated from fungi such as …

Platform for unified molecular analysis: PUMA

M Gonzalez-Medina… - Journal of chemical …, 2017 - ACS Publications
We introduce a free platform for chemoinformatic-based diversity analysis and visualization
of chemical space of user supplied data sets. Platform for Unified Molecular Analysis …

Discovery of anticancer agents of diverse natural origin

LN Aldrich, JE Burdette… - Journal of natural …, 2022 - ACS Publications
Research progress from mainly over the last five years is described for a multidisciplinary
collaborative program project directed toward the discovery of potential anticancer agents …

Verticillins: fungal epipolythiodioxopiperazine alkaloids with chemotherapeutic potential

HC Pierre, CSM Amrine, MG Doyle, A Salvi… - Natural Product …, 2024 - pubs.rsc.org
Covering: 1970 through June of 2023 Verticillins are epipolythiodioxopiperazine (ETP)
alkaloids, many of which possess potent, nanomolar-level cytotoxicity against a variety of …