An update on lipophilic efficiency as an important metric in drug design

RA Gallego, MP Edwards… - Expert Opinion on Drug …, 2024 - Taylor & Francis
ABSTRACT Introduction Lipophilic efficiency (LipE) and lipophilic metabolic efficiency
(LipMetE) are valuable tools that can be utilized as part of a multiparameter optimization …

1, 3, 4-oxadiazoles as anticancer agents: a review

G Kumar, R Kumar, A Mazumder… - Recent Patents on …, 2024 - benthamdirect.com
Among the deadliest diseases, cancer is characterized by tumors or an increased number of
a specific type of cell because of uncontrolled divisions during mitosis. Researchers in the …

Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML

LG DeRatt, Z Zhang, C Pietsch, JS Cisar… - Journal of Medicinal …, 2024 - ACS Publications
Acute myelogenous leukemia (AML), a heterogeneous disease of the blood and bone
marrow, is characterized by the inability of myeloblasts to differentiate into mature cell types …

Discovery of Nanomolar Inhibitors for Human Dihydroorotate Dehydrogenase Using Structure-Based Drug Discovery Methods

WT Higgins, S Vibhute, C Bennett… - Journal of Chemical …, 2024 - ACS Publications
We used a structure-based drug discovery approach to identify novel inhibitors of human
dihydroorotate dehydrogenase (DHODH), which is a therapeutic target for treating cancer …

Design, Synthesis, and Antiviral Activities of New Benzotriazole-Based Derivatives

R Ibba, P Corona, F Nonne, P Caria, G Serreli… - Pharmaceuticals, 2023 - mdpi.com
Several human diseases are caused by enteroviruses and are currently clinically
untreatable, pushing the research to identify new antivirals. A notable number of benzo [d][1 …

DHODH: a promising target in the treatment of T-cell acute lymphoblastic leukemia

AN Sexauer, G Alexe, K Gustafsson… - Blood …, 2023 - ashpublications.org
Patients with relapsed or refractory T-cell acute lymphoblastic leukemia (T-ALL) have a poor
prognosis with few therapeutic options. With the goal of identifying novel therapeutic targets …

Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors

LG DeRatt, EC Pietsch, JS Cisar, E Jacoby… - ACS Medicinal …, 2024 - ACS Publications
Dihydroorotate dehydrogenase (DHODH) is a mitochondrial enzyme that affects many
aspects essential to cell proliferation and survival. Recently, DHODH has been identified as …

Elucidation of the solution structure of macrocyclic paritaprevir and exploration of its antitumor potential through molecular docking

X Zhang, T Li, H Xu, Q Wang, X Wu, R Yan, Y **… - Journal of Molecular …, 2024 - Elsevier
Macrocyclic molecules have emerged as significant contenders in drug development and
supramolecular chemistry. Paritaprevir is a 15-membered macrocycle approved for the …

The solution structure of macrocyclic glecaprevir and its conformational adaptation mechanism towards antitumor targets

Q Wang, X Zhang, H Xu, Z Jiang, Y **, W Fang… - Journal of Molecular …, 2025 - Elsevier
The realm of drug development and supramolecular chemistry has been revolutionized by
the emergence of macrocyclic compounds, which have emerged as formidable contenders …

Identification of isoquinolinone DHODH inhibitor isosteres

LG DeRatt, Z Zhang, EC Pietsch, J Cisar… - Bioorganic & Medicinal …, 2024 - Elsevier
DHODH inhibition represents an attractive approach to overcome differentiation blockade for
the treatment of AML. In a previous communication, we described our efforts leading to the …