Characterization of the chemical space of known and readily obtainable natural products

Y Chen, M Garcia de Lomana… - Journal of chemical …, 2018 - ACS Publications
Natural products remain one of the most productive sources of chemical inspiration for the
development of new drugs. The structures of more than 250 000 natural products are …

Data resources for the computer-guided discovery of bioactive natural products

Y Chen, C de Bruyn Kops… - Journal of chemical …, 2017 - ACS Publications
Natural products from plants, animals, marine life, fungi, bacteria, and other organisms are
an important resource for modern drug discovery. Their biological relevance and structural …

Charting, navigating, and populating natural product chemical space for drug discovery

H Lachance, S Wetzel, K Kumar… - Journal of medicinal …, 2012 - ACS Publications
STRONGHOLDS FOR DRUG DISCOVERY Historically, natural products (NPs) have played
a key role in the development of chemotherapy, 1, 2 and to this very day numerous marketed …

Molecular scaffold analysis of natural products databases in the public domain

AB Yongye, J Waddell… - Chemical biology & drug …, 2012 - Wiley Online Library
Natural products represent important sources of bioactive compounds in drug discovery
efforts. In this work, we compiled five natural products databases available in the public …

[HTML][HTML] Cheminformatics to characterize pharmacologically active natural products

JL Medina-Franco, FI Saldívar-González - Biomolecules, 2020 - mdpi.com
Natural products have a significant role in drug discovery. Natural products have distinctive
chemical structures that have contributed to identifying and developing drugs for different …

Cheminformatic analysis of natural products and their chemical space

S Wetzel, A Schuffenhauer, S Roggo, P Ertl… - Chimia, 2007 - ojs.chimia.ch
Cheminformatic methods allow the detailed characterization of particular and characteristic
properties of natural products (NPs) and comparison with related characteristics of drugs …

Cheminformatic analysis of natural product-based drugs and chemical probes

S Stone, DJ Newman, SL Colletti, DS Tan - Natural product reports, 2022 - pubs.rsc.org
Covering: 1981 to 2019 Natural products continue to play a major role in drug discovery,
with half of new chemical entities based structurally on a natural product. Herein, we report a …

Super Natural II—a database of natural products

P Banerjee, J Erehman, BO Gohlke… - Nucleic acids …, 2015 - academic.oup.com
Natural products play a significant role in drug discovery and development. Many
topological pharmacophore patterns are common between natural products and commercial …

Relevance of the trillion-sized chemical space “explore” as a source for drug discovery

A Neumann, L Marrison, R Klein - ACS Medicinal Chemistry …, 2023 - ACS Publications
Within the past two decades, virtual combinatorial compound collections, so-called chemical
spaces, became an important molecule source for pharmaceutical research all over the …

[HTML][HTML] Progress and impact of Latin American natural product databases

A Gómez-García, JL Medina-Franco - Biomolecules, 2022 - mdpi.com
Natural products (NPs) are a rich source of structurally novel molecules, and the chemical
space they encompass is far from being fully explored. Over history, NPs have represented a …