Virtual Screening, Structural Analysis, and Formation Thermodynamics of Carbamazepine Cocrystals

AO Surov, AG Ramazanova, AP Voronin, KV Drozd… - Pharmaceutics, 2023 - mdpi.com
In this study, the existing set of carbamazepine (CBZ) cocrystals was extended through the
successful combination of the drug with the positional isomers of acetamidobenzoic acid …

How Molecular Packing Affects the Thermodynamic Parameters of Cocrystal Formation: The Case of Carbamazepine Cocrystals

AN Manin, DE Boycov, OR Simonova… - Crystal Growth & …, 2023 - ACS Publications
In the present work, the thermodynamic aspects related to the driving force of cocrystal
formation and their stability were studied for a series of 1: 1 carbamazepine (CBZ) …

Extending the Range of Nitrofurantoin Solid Forms: Effect of Molecular and Crystal Structure on Formation Thermodynamics and Physicochemical Properties

AO Surov, AP Voronin, KV Drozd… - Crystal Growth & …, 2022 - ACS Publications
In this work, four novel pharmaceutical cocrystals of nitrofurantoin, an antibacterial drug, with
isonicotinamide, picolinamide, 2-hydroxybenzamide, and 2-aminobenzamide have been …

A combined experimental and theoretical study of miconazole salts and cocrystals: Crystal structures, DFT computations, formation thermodynamics and solubility …

KV Drozd, AN Manin, AP Voronin, DE Boycov… - Physical Chemistry …, 2021 - pubs.rsc.org
Experimental and theoretical screening of multi-component crystal forms of miconazole
(MCL), an antifungal drug, with ten aliphatic dicarboxylic acids was performed. Seven multi …

Novel cocrystals of the potent 1, 2, 4-thiadiazole-based neuroprotector with carboxylic acids: Virtual screening, crystal structures and solubility performance

AO Surov, AP Voronin, NA Vasilev, AB Ilyukhin… - New Journal of …, 2021 - pubs.rsc.org
Five new multicomponent solid forms of the biologically active 1, 2, 4-thiadiazole derivative
(TDZH) with dicarboxylic and hydroxybenzoic acids have been discovered by combined …

Exploring the solid form landscape of the antifungal drug isavuconazole: Crystal structure analysis, phase transformation behavior and dissolution performance

AP Voronin, NA Vasilev, AO Surov, AV Churakov… - …, 2021 - pubs.rsc.org
Isavuconazole (ISV) is a systemic antifungal agent and is used to treat invasive
aspergillosis, mucormycosis and candidiasis. Although both oral and intravenous dosage …

Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance

AO Surov, NA Vasilev, AP Voronin, AV Churakov… - …, 2020 - pubs.rsc.org
In this work, three new pharmaceutical hydrated salts of ciprofloxacin with selected
derivatives of benzoic acid, namely 4-hydroxybenzoic acid, 4-aminobenzoic acid and gallic …

A Combination of Virtual and Experimental Screening Tools for the Prediction of Nitrofurantoin Multicomponent Crystals with Pyridine Derivatives

AN Manin, AP Voronin, DE Boycov, KV Drozd… - Crystals, 2023 - mdpi.com
Thirty-four binary systems of nitrofurantoin with pyridine derivatives were analyzed by
combining virtual (molecular complementarity prediction and hydrogen bond propensity …

Magnetic and Aharonov–Bohm Flux Fields' Effect on Thermodynamic Properties of Nitrogen

A Ghanbari, NK Baseri - Journal of Low Temperature Physics, 2023 - Springer
In this work, the thermodynamic properties of the nitrogen have been theoretically studied
and compared with experimental data. To this end, we have solved the Dirac equation with …

Thermal method usage features for multicomponent crystal screening

DE Boycov, AN Manin, KV Drozd, AV Churakov… - …, 2022 - pubs.rsc.org
In this work, the effectiveness of thermal methods, liquid-assisted grinding (LAG), and
crystallization by a slow evaporation technique for the screening of multicomponent crystals …