Impact of crystal habit on solubility of ticagrelor

Y Ren, J Shen, K Yu, CU Phan, G Chen, J Liu, X Hu… - Crystals, 2019 - mdpi.com
Drugs with poor biopharmaceutical performance are the main obstacle to the development
and design of medicinal preparations. The anisotropic surface chemistry of different surfaces …

Synthesis of ticagrelor analogues belonging to 1, 2, 3-triazolo [4, 5-d] pyrimidines and study of their antiplatelet and antibacterial activity

E Goffin, N Jacques, L Musumeci, A Nchimi… - European Journal of …, 2020 - Elsevier
Based on the recent observation that the antiplatelet agent ticagrelor and one of its
metabolite exert bactericidal activity against gram-positive bacteria, a series of 1, 2, 3 …

The First Insight Into the Supramolecular System of D,L-α-Difluoromethylornithine: A New Antiviral Perspective

J Bojarska, R New, P Borowiecki, M Remko… - Frontiers in …, 2021 - frontiersin.org
Targeting the polyamine biosynthetic pathway by inhibiting ornithine decarboxylase (ODC)
is a powerful approach in the fight against diverse viruses, including SARS-CoV-2 …

An efficient “hot exciton” fluorophore based on a dicyanophenanthrene-triphenylamine hybrid

WC Chen, F Zheng, Q Liu, XL Liu, RJ Wang, QE Wu… - Dyes and …, 2024 - Elsevier
The study presents the design, synthesis, and characterization of DCNP-2TPA, a novel “hot
exciton” fluorophore featuring a donor-acceptor structure combining dicyanophenanthrene …

Supramolecular synthon polymorphism in modified amino acids. Structural, conformational and energy landscapes of N-benzoyl-2′-hydroxy-3-methylisovaline

J Bojarska, M Remko, ID Madura… - Journal of Molecular …, 2019 - Elsevier
The title compound, N-benzoyl-2′-hydroxy-3-methylisovaline, representing synthon
polymorphism, can be interesting inter alia from the point of view of modern supramolecular …

The first insight into the supramolecular structures of popular drug repaglinide: Focus on intermolecular interactions in antidiabetic agents

J Bojarska, A Fruziński, L Sieroń… - Journal of Molecular …, 2019 - Elsevier
This work is the first, according to our knowledge, complete structural report on the solid-
state supramolecular architecture of antidiabetic drug repaglinide. Here, we present a series …

Synthesis, conformation and Hirshfeld surface analysis of benzoxazole methyl ester as a versatile building block for heterocycles

A Saeed, G Shabir, T Hökelek, Ü Flörke, MF Erben - Heliyon, 2021 - cell.com
Solventless cyclocondensation of 2-aminothiophenol with thiourea afforded the benzo [d]
oxazole-2-thiol (3a) capable of existing also in the tautomeric form benzo [d] oxazole-2 (3H) …

Synthesis, X-ray diffraction and theoretical studies to understand the molecular basis of druglikeness of isoxazole analogs

N Kumari, A Sharon - Journal of Molecular Structure, 2023 - Elsevier
Here, we report the synthesis, X-ray crystallography, DFT calculation, and ADME prediction
of some new isoxazole-based flexible analogs. The key acetimidamide intermediates (1) …

m-Carborane as a Novel Core for Periphery-Decorated Macromolecules

I Bennour, F Teixidor, Z Kelemen, C Viñas - Molecules, 2020 - mdpi.com
Closo m-C2B10H12 can perform as a novel core of globular periphery-decorated
macromolecules. To do this, a new class of di and tetrabranched m-carborane derivatives …

Isotope Effects on XH···C20 (X = F, Cl, Br) Systems: A Quantum Chemistry Approach

R Ghiasi, R Tale, V Daneshdoost - Russian Journal of Physical Chemistry …, 2023 - Springer
In this work, we optimized XH··· C20 (X= F, Cl, Br) systems at the LC-ωPBE/6-311G (d, p)
level of theory and illustrated structural, electronic and vibrational properties in these …