Cocrystals by design: a rational coformer selection approach for tackling the API problems

M Singh, H Barua, VGSS Jyothi, MR Dhondale… - Pharmaceutics, 2023 - mdpi.com
Active pharmaceutical ingredients (API) with unfavorable physicochemical properties and
stability present a significant challenge during their processing into final dosage forms …

Comprehensive applications of the artificial intelligence technology in new drug research and development

H Chen, D Lu, Z Xiao, S Li, W Zhang, X Luan… - … Information Science and …, 2024 - Springer
Purpose Target-based strategy is a prevalent means of drug research and development
(R&D), since targets provide effector molecules of drug action and offer the foundation of …

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) …

Polymorphism of Carbamazepine Pharmaceutical Cocrystal: Structural Analysis and Solubility Performance

AO Surov, KV Drozd, AG Ramazanova, AV Churakov… - Pharmaceutics, 2023 - mdpi.com
Polymorphism is a common phenomenon among single-and multicomponent molecular
crystals that has a significant impact on the contemporary drug development process. A new …

Research Progress on the Molecular Mechanism of Polymorph Nucleation in Solution: A Perspective from Research Mentality and Technique

P Shi, Y Han, Z Zhu, J Gong - Crystals, 2023 - mdpi.com
Based on the importance of polymorphic regulation, the molecular mechanism of nucleation
has been widely concerned. This review begins by introducing the development and …

Cocrystal formation by anti-solvent slurry

Y Li, SY Li, XL Dai, TB Lu, JM Chen - CrystEngComm, 2023 - pubs.rsc.org
An anti-solvent slurry method for cocrystal formation is developed and tested in 25
carbamazepine cocrystal systems. With a low solvent/anti-solvent volume ratio, it reduces …

The Discovery of Novel Agents against Staphylococcus aureus by Targeting Sortase A: A Combination of Virtual Screening and Experimental Validation

K Liu, J Tong, X Liu, D Liang, F Ren, N Jiang, Z Hao… - Pharmaceuticals, 2023 - mdpi.com
Staphylococcus aureus (S. aureus), commonly known as “superbugs”, is a highly
pathogenic bacterium that poses a serious threat to human health. There is an urgent need …

Rational Design of the Carbamazepine Ternary Cocrystals

DE Boycov, KV Drozd, AN Manin… - Crystal Growth & …, 2024 - ACS Publications
The first ternary cocrystals of carbamazepine (CBZ) were successfully identified through a
large-scale screening. A design strategy involved the use of an aliphatic dicarboxylic acid to …

Slurry in Deep Eutectic Solvents: A Green and Efficient Cocrystal Synthesis Approach via Solvate Formation

JF Zhen, YH Yao, W Gao, HJ Feng, TT Zhou… - Crystal Growth & …, 2024 - ACS Publications
Cocrystallization has emerged as a promising strategy to obtain new solid forms of a given
compound with tailored properties. In this study, a green and efficient slurry method was …

Flavone Cocrystals: A Comprehensive Approach Integrating Experimental and Virtual Methods

TL Petrick, A Grünwald, DE Braun - Crystal Growth & Design, 2024 - ACS Publications
The dapsone/flavone cocrystal system served as a benchmark for both experimental and
virtual screening methods. Expanding beyond this, two additional active pharmaceutical …