User profiles for Joshua Pottel

Joshua Pottel

Molecular Forecaster Inc.
Verified email at molecularforecaster.com
Cited by 689

[HTML][HTML] COVID-19: famotidine, histamine, mast cells, and mechanisms

…, CD Hennecker, G Wang, J Pottel… - Frontiers in …, 2021 - frontiersin.org
SARS-CoV-2 infection is required for COVID-19, but many signs and symptoms of COVID-19
differ from common acute viral diseases. SARS-CoV-2 infection is necessary but not …

The activities of drug inactive ingredients on biological targets

J Pottel, D Armstrong, L Zou, A Fekete, XP Huang… - Science, 2020 - science.org
Excipients, considered “inactive ingredients,” are a major component of formulated drugs
and play key roles in their pharmacokinetics. Despite their pervasiveness, whether they are …

From desktop to benchtop with automated computational workflows for computer-aided design in asymmetric catalysis

M Burai Patrascu, J Pottel, S Pinus, M Bezanson… - Nature Catalysis, 2020 - nature.com
The organic chemist’s toolbox is vast, with technologies to accelerate the synthesis of novel
chemical matter. The field of asymmetric catalysis is one approach to accessing new areas …

Medicinal chemistry projects requiring imaginative structure-based drug design methods

N Moitessier, J Pottel, E Therrien… - Accounts of chemical …, 2016 - ACS Publications
Conspectus Computational methods for docking small molecules to proteins are prominent
in drug discovery. There are hundreds, if not thousands, of documented examplesand …

Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives

…, HC Chien, W Cai, N Khuri, J Pottel… - Proceedings of the …, 2020 - National Acad Sciences
Food and drug products contain diverse and abundant small-molecule additives (excipients)
with unclear impacts on human physiology, drug safety, and response. Here, we evaluate …

Development of a Computational Tool to Rival Experts in the Prediction of Sites of Metabolism of Xenobiotics by P450s

V Campagna-Slater, J Pottel, E Therrien… - Journal of chemical …, 2012 - ACS Publications
The metabolism of xenobioticsand more specifically drugsin the liver is a critical process
controlling their half-life. Although there exist experimental methods, which measure the …

Docking ligands into flexible and solvated macromolecules. 6. Development and application to the docking of HDACs and other zinc metalloenzymes inhibitors

J Pottel, E Therrien, JL Gleason… - Journal of Chemical …, 2014 - ACS Publications
Metalloenzymes are ubiquitous proteins which feature one or more metal ions either directly
involved in the enzymatic activity and/or structural properties (ie, zinc fingers). Several …

Design, synthesis and evaluation of antiestrogen and histone deacetylase inhibitor molecular hybrids

…, D Cotnoir-White, J Kulpa, I Jutras, J Pottel… - Bioorganic & medicinal …, 2015 - Elsevier
The combination of antiestrogens and histone deacetylase inhibitors (HDACi) has been
found to be antiproliferative in breast cancer models. We designed and synthesized hybrid …

Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─ Challenges and Opportunities

…, JK Stille, MB Patrascu, A Martins, J Pottel… - Journal of Chemical …, 2022 - ACS Publications
Over the years, structure-based design programs and specifically docking small molecules to
proteins have become prominent in drug discovery. However, many of these computational …

Interactions of oral molecular excipients with breast cancer resistance protein, BCRP

L Zou, J Pottel, N Khuri, HX Ngo, Z Ni… - Molecular …, 2020 - ACS Publications
Mechanistic-understanding-based selection of excipients may improve formulation development
strategies for generic drug products and potentially accelerate their approval. Our study …