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 …

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 …

Potential phytochemical inhibitors of SARS-CoV-2 helicase Nsp13: A molecular docking and dynamic simulation study

RP Vivek-Ananth, S Krishnaswamy, A Samal - Molecular diversity, 2022 - Springer
Abstract The SARS-CoV-2 helicase Nsp13 is a promising target for developing anti-COVID
drugs. In the present study, we have identified potential natural product inhibitors of SARS …

Discovery of novel CDK4/6 inhibitors from fungal secondary metabolites

A Debnath, R Mazumder, RK Singh… - International Journal of …, 2024 - Elsevier
The development of targeted therapies for breast cancer, particularly those focusing on
cyclin-dependent kinases 4/6 (CDK4/6), has significantly improved patient outcomes …

Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and …

J Prajapati, R Patel, D Goswami, M Saraf… - Computers in Biology …, 2021 - Elsevier
The disease outbreak of Coronavirus disease-19 (COVID-19), caused by the novel SARS-
CoV-2 virus, remains a public health concern. COVID-19 is spreading rapidly with a high …

The Cytotoxic Properties of Extreme Fungi's Bioactive Components—An Updated Metabolic and Omics Overview

A Kiss, F Hariri Akbari, A Marchev, V Papp… - Life, 2023 - mdpi.com
Fungi are the most diverse living organisms on planet Earth, where their ubiquitous
presence in various ecosystems offers vast potential for the research and discovery of new …

Predicting fungal secondary metabolite activity from biosynthetic gene cluster data using machine learning

O Riedling, AS Walker, A Rokas - Microbiology Spectrum, 2024 - Am Soc Microbiol
Fungal secondary metabolites (SMs) contribute to the diversity of fungal ecological
communities, niches, and lifestyles. Many fungal SMs have one or more medically and …

[HTML][HTML] Molecular docking and dynamics simulation study of medicinal fungi derived secondary metabolites as potential inhibitor for COVID-19 treatment

MAS Khan, MI Miah, Z Islam, S Afrin, MF Ahmed… - Informatics in Medicine …, 2023 - Elsevier
The severity of COVID-19, lack of specific treatment, and controversies on the vaccine's
efficacy demand the development of new drugs against SARS-CoV-2. Fungi produce …

Metabolomic profiling, nutritional parameters and potential bioactive metabolites of the edible mushroom Tricholoma mesoamericanum

R Gamboa-Becerra, L Montoya… - … Journal of Food …, 2024 - academic.oup.com
Edible Mushrooms boast a diverse array of biomolecules with exceptional nutritional and
bioactive benefits for humans. This study conducted metabolomic and nutritional analyses …

Integrated machine learning and chemoinformatics-based screening of mycotic compounds against kinesin spindle proteinEg5 for lung cancer therapy

P Maiti, P Sharma, M Nand, ID Bhatt… - Molecules, 2022 - mdpi.com
Among the various types of cancer, lung cancer is the second most-diagnosed cancer
worldwide. The kinesin spindle protein, Eg5, is a vital protein behind bipolar mitotic spindle …