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 …

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 …

In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM

NA Durán-Iturbide, BI Díaz-Eufracio… - ACS …, 2020 - ACS Publications
Natural products continue to be major sources of bioactive compounds and drug candidates
not only because of their unique chemical structures but also because of their overall …

Cyclohexane-1, 3-dione derivatives as future therapeutic agents for NSCLC: QSAR modeling, in silico ADME-Tox properties, and structure-based drug designing …

O Daoui, S Elkhattabi, M Bakhouch, S Belaidi… - ACS …, 2023 - ACS Publications
The abnormal expression of the c-Met tyrosine kinase has been linked to the proliferation of
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …

Molecular Docking and Simulation Studies of Antidiabetic Agents Devised from Hypoglycemic Polypeptide‐P of Momordica charantia

R Arif, S Ahmad, G Mustafa, HS Mahrosh… - BioMed research …, 2021 - Wiley Online Library
Diabetes mellitus termed as metabolic disorder is a collection of interlinked diseases and
mainly body's inability to manage glucose level which leads to cardiovascular diseases …

Molecular docking and simulation studies of natural compounds of Vitex negundo L. against papain-like protease (PLpro) of SARS CoV-2 (coronavirus) to conquer …

D Mitra, D Verma, B Mahakur, A Kamboj… - Journal of …, 2022 - Taylor & Francis
The severe acute respiratory syndrome coronavirus-2 (SARS CoV-2) is β-coronavirus that is
responsible for the pandemic coronavirus disease 2019 (COVID-19) all over the world. The …

Design and prediction of ADME/Tox properties of novel magnolol derivatives as anticancer agents for NSCLC using 3D-QSAR, molecular docking, MOLCAD and MM …

O Daoui, S Elkhattabi, S Chtita - Letters in Drug Design & …, 2023 - benthamdirect.com
Introduction: In this work, we used several molecular modeling techniques to design new
molecules for the treatment of non-small cell lung cancer (NSCLC). Methods: For this …

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 …

Exploring the inhibitory potential of novel bioactive compounds from mangrove actinomycetes against nsp10 the major activator of SARS-CoV-2 replication

S Muhammad, M Qaisar, J Iqbal, RA Khera… - Chemical Papers, 2022 - Springer
The current study reveals the inhibitory potential of novel bioactive compounds of mangrove
actinomycetes against nsp10 of SARS-CoV-2. A total of fifty (50) novel bioactive …

A Computational Study of Carbazole Alkaloids from Murraya koenigii as Potential SARS-CoV-2 Main Protease Inhibitors

PM Wadanambi, N Jayathilaka… - Applied Biochemistry and …, 2023 - Springer
Despite COVID-19 vaccination, immune escape of new SARS-CoV-2 variants has created
an urgent priority to identify additional antiviral drugs. Targeting main protease (Mpro) …