Discovery of novel inhibitors of a critical brain enzyme using a homology model and a deep convolutional neural network
A Stecula, MS Hussain, RE Viola - Journal of Medicinal Chemistry, 2020 - ACS Publications
Rare neglected diseases may be neglected but are hardly rare, affecting hundreds of millions
of people around the world. Here, we present a hit identification approach using AtomNet, …
of people around the world. Here, we present a hit identification approach using AtomNet, …
[HTML][HTML] A phosphotyrosine switch regulates organic cation transporters
Membrane transporters are key determinants of therapeutic outcomes. They regulate systemic
and cellular drug levels influencing efficacy as well as toxicities. Here we report a unique …
and cellular drug levels influencing efficacy as well as toxicities. Here we report a unique …
Molecular mechanisms for species differences in organic anion transporter 1, OAT1: implications for renal drug toxicity
Species differences in renal drug transporters continue to plague drug development with
animal models failing to adequately predict renal drug toxicity. For example, adefovir, a renally …
animal models failing to adequately predict renal drug toxicity. For example, adefovir, a renally …
FLT3 D835 mutations confer differential resistance to type II FLT3 inhibitors
CC Smith, K Lin, A Stecula, A Sali, NP Shah - Leukemia, 2015 - nature.com
Activating mutations in FLT3 occur in~ 30% of adult acute myeloid leukemia, primarily
consisting of internal tandem duplication (ITD) mutations (~ 25%) and point mutations in the …
consisting of internal tandem duplication (ITD) mutations (~ 25%) and point mutations in the …
Discovery of competitive and noncompetitive ligands of the organic cation transporter 1 (OCT1; SLC22A1)
Organic cation transporter 1 (OCT1) plays a critical role in the hepatocellular uptake of
structurally diverse endogenous compounds and xenobiotics. Here we identified competitive and …
structurally diverse endogenous compounds and xenobiotics. Here we identified competitive and …
[HTML][HTML] Deorphaning a solute carrier 22 family member, SLC22A15, through functional genomic studies
The human solute carrier 22A (SLC22A) family consists of 23 members, representing one of
the largest families in the human SLC superfamily. Despite their pharmacological and …
the largest families in the human SLC superfamily. Despite their pharmacological and …
[HTML][HTML] Impact of polymorphisms in drug pathway genes on disease-free survival in adults with acute myeloid leukemia
…, JA Mefford, N Singh, ME Percival, A Stecula… - Journal of human …, 2013 - nature.com
Acute myeloid leukemia (AML) is a clinically heterogeneous disease, with a 5-year disease-free
survival (DFS) ranging from under 10% to over 70% for distinct groups of patients. At our …
survival (DFS) ranging from under 10% to over 70% for distinct groups of patients. At our …
[HTML][HTML] Unraveling the functional role of the orphan solute carrier, SLC22A24 in the transport of steroid conjugates through metabolomic and genome-wide …
Variation in steroid hormone levels has wide implications for health and disease. The genes
encoding the proteins involved in steroid disposition represent key determinants of …
encoding the proteins involved in steroid disposition represent key determinants of …
Quantitative correlation of the effect of process conditions on the capping tendencies of tablet formulations
I Akseli, A Stecuła, X He, N Ladyzhynsky - Journal of pharmaceutical …, 2014 - Elsevier
Capping is a mechanical defect in tablet formulation and manufacture. Understanding what
influences tablet capping in terms of process variables and formulation properties and …
influences tablet capping in terms of process variables and formulation properties and …
Drug metabolites potently inhibit renal organic anion transporters, OAT1 and OAT3
Human OAT1 and OAT3 play major roles in renal drug elimination and drug-drug interactions.
However, there is little information on the interactions of drug metabolites with transporters…
However, there is little information on the interactions of drug metabolites with transporters…