Molecular docking and structure-based drug design strategies

LG Ferreira, RN Dos Santos, G Oliva, AD Andricopulo - Molecules, 2015 - mdpi.com
Pharmaceutical research has successfully incorporated a wealth of molecular modeling
methods, within a variety of drug discovery programs, to study complex biological and …

The re-emergence of natural products for drug discovery in the genomics era

AL Harvey, RA Edrada-Ebel, RJ Quinn - Nature reviews drug discovery, 2015 - nature.com
Natural products have been a rich source of compounds for drug discovery. However, their
use has diminished in the past two decades, in part because of technical barriers to …

Medicinal plants in Brazil: Pharmacological studies, drug discovery, challenges and perspectives

RC Dutra, MM Campos, ARS Santos… - Pharmacological research, 2016 - Elsevier
This review article focuses on pre-clinical and clinical studies with some selected Brazilian
medicinal plants in different areas of interest, conducted by research groups in Brazil and …

Natural products and synthetic analogs as a source of antitumor drugs

J Sharifi-Rad, A Ozleyen, T Boyunegmez Tumer… - Biomolecules, 2019 - mdpi.com
Cancer is a heterogeneous disease and one of the major issues of health concern,
especially for the public health system globally. Nature is a source of anticancer drugs with …

Dereplication strategies in natural product research: How many tools and methodologies behind the same concept?

J Hubert, JM Nuzillard, JH Renault - Phytochemistry Reviews, 2017 - Springer
The development of new drugs will certainly benefit from an ever improving knowledge of
the living beings chemistry. However, identification of drugable molecules within the …

NPASS: natural product activity and species source database for natural product research, discovery and tool development

X Zeng, P Zhang, W He, C Qin, S Chen… - Nucleic acids …, 2018 - academic.oup.com
There has been renewed interests in the exploration of natural products (NPs) for drug
discovery, and continuous investigations of the therapeutic claims and mechanisms of …

NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity

AC Pilon, M Valli, AC Dametto, MEF Pinto, RT Freire… - Scientific Reports, 2017 - nature.com
The intrinsic value of biodiversity extends beyond species diversity, genetic heritage,
ecosystem variability and ecological services, such as climate regulation, water quality …

[HTML][HTML] Future directions for the discovery of natural product-derived immunomodulating drugs: an IUPHAR positional review

CL Wainwright, MM Teixeira, DL Adelson… - Pharmacological …, 2022 - Elsevier
Drug discovery from natural sources is going through a renaissance, having spent many
decades in the shadow of synthetic molecule drug discovery, despite the fact that natural …

eToxPred: a machine learning-based approach to estimate the toxicity of drug candidates

L Pu, M Naderi, T Liu, HC Wu, S Mukhopadhyay… - BMC Pharmacology and …, 2019 - Springer
Background The efficiency of drug development defined as a number of successfully
launched new pharmaceuticals normalized by financial investments has significantly …

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 …