Experimental and theoretical investigation of hydrogen-bonding interactions in cocrystals of sulfaguanidine

S Huang, VKR Cheemarla, D Tiana… - Crystal Growth & …, 2023 - ACS Publications
Pharmaceutical cocrystals, a type of multicomponent crystalline material incorporating two or
more molecular and/or ionic compounds connected by noncovalent interactions (such as …

Directed Self-Assembly with Gallic Acid Provides First Phenolic Acid Cocrystals for the Antiviral Drug Acyclovir toward Increasing Pharmaceutical Features and …

FZ Bu, YM Yu, M Zhang, CW Yan, ZY Wu… - Crystal Growth & …, 2023 - ACS Publications
To achieve new breakthroughs in the development of synergistic antiviral medication
cocrystals of acyclovir (AYL) with phenolic acids, a cocrystallization-driven strategy for …

[HTML][HTML] Complementary supramolecular drug associates in perfecting the multidrug therapy against multidrug resistant bacteria

P Sahoo - Frontiers in Immunology, 2024 - frontiersin.org
The inappropriate and inconsistent use of antibiotics in combating multidrug-resistant
bacteria exacerbates their drug resistance through a few distinct pathways. Firstly, these …

[HTML][HTML] Investigation of the site-specific binding interactions and sensitivity of ochratoxin with aluminum nitride (Al12N12) nanoclusters. An intuition from quantum …

EC Agwamba, H Louis, I Benjamin, EE Ekereke… - Chemical Physics …, 2023 - Elsevier
Density functional theory (DFT) computing was used in this study to examine the feasibility
for detecting the interaction of nitrogen (Ochra@ AlN... N), oxygen (Ochra@ AlN... O), and …

A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention

Y Kang, J Chen, X Hu, Y Jiang, Z Li - CrystEngComm, 2023 - pubs.rsc.org
This study presents a cocrystal prediction model based on molecular point cloud information
and a graph attention network (GAT). We first expanded our experimental dataset for the …

New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies

G Murtaza, M Khan, S Farooq… - … Section C: Structural …, 2023 - journals.iucr.org
Many heterocycles have been developed as drugs due to their capacity to interact
productively with biological systems. The present study aimed to synthesize cocrystals of the …

Experimental study of influence of natural organic solvent limonene on methane adsorption–desorption behaviors of selected rank coals

X Liang, T Kang, J Kang, X Zhang, L Zhang, H Li… - Energy, 2024 - Elsevier
For the clean and efficient extraction of coalbed methane (CBM), it is of great significance to
understand the mechanism of the interaction between limonene, which is a natural organic …

Highly selective and sensitive immunoassays for flurogestone acetate analysis in goat milk: From rational hapten design and antibody production to assay …

R Liu, X Sun, Y Zhang, P Li, L Nan, Q Shen, K Wen… - Food Chemistry, 2024 - Elsevier
The preparation of high specificity and affinity antibodies is challenging due to limited
information on characteristic groups of haptens in traditional design strategy. In this study …

[HTML][HTML] Pharmaceutical crystals: Development, optimization, characterization and biopharmaceutical aspects

A Bongioanni, MS Bueno, BA Mezzano… - Crystal Growth and …, 2022 - intechopen.com
In the solid state, the active pharmaceutical ingredients tend to exhibit crystalline order. In
this regard, the interest in the crystalline solid state has expanded to include single …

Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX‐2 inhibitor etoricoxib

YH Ma, K Yang, YL Qian, WP Hong… - … Section C: Structural …, 2024 - journals.iucr.org
The structures of three 1: 1 cocrystal forms of etoricoxib {ETR; systematic name: 5-chloro-2-
(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl) phenyl] pyridine, C18H15-ClN2O2S} have been …