User profiles for Joshua Pottel
Joshua PottelMolecular Forecaster Inc. Verified email at molecularforecaster.com Cited by 689 |
[HTML][HTML] COVID-19: famotidine, histamine, mast cells, and mechanisms
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 …
differ from common acute viral diseases. SARS-CoV-2 infection is necessary but not …
The activities of drug inactive ingredients on biological targets
Excipients, considered “inactive ingredients,” are a major component of formulated drugs
and play key roles in their pharmacokinetics. Despite their pervasiveness, whether they are …
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
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 …
chemical matter. The field of asymmetric catalysis is one approach to accessing new areas …
Medicinal chemistry projects requiring imaginative structure-based drug design methods
Conspectus Computational methods for docking small molecules to proteins are prominent
in drug discovery. There are hundreds, if not thousands, of documented examplesand …
in drug discovery. There are hundreds, if not thousands, of documented examplesand …
Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives
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 …
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 xenobioticsand more specifically drugsin the liver is a critical process
controlling their half-life. Although there exist experimental methods, which measure the …
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 …
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 …
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 …
proteins have become prominent in drug discovery. However, many of these computational …
Interactions of oral molecular excipients with breast cancer resistance protein, BCRP
Mechanistic-understanding-based selection of excipients may improve formulation development
strategies for generic drug products and potentially accelerate their approval. Our study …
strategies for generic drug products and potentially accelerate their approval. Our study …