Cocrystal engineering of pharmaceutical solids: Therapeutic potential and challenges

SN Wong, YCS Chen, B Xuan, CC Sun, SF Chow - CrystEngComm, 2021 - pubs.rsc.org
Cocrystals are an emerging class of crystalline materials composed of two or more different
molecules in the same crystal lattice that are physically connected by non-ionic and non …

Recent advances in co-former screening and formation prediction of multicomponent solid forms of low molecular weight drugs

Y Deng, S Liu, Y Jiang, ICB Martins, T Rades - Pharmaceutics, 2023 - mdpi.com
Multicomponent solid forms of low molecular weight drugs, such as co-crystals, salts, and co-
amorphous systems, are a result of the combination of an active pharmaceutical ingredient …

Mechanical Activation by Ball Milling as a Strategy to Prepare Highly Soluble Pharmaceutical Formulations in the Form of Co-Amorphous, Co-Crystals, or Polymorphs

LM Martínez, J Cruz-Angeles, M Vázquez-Dávila… - Pharmaceutics, 2022 - mdpi.com
Almost half of orally administered active pharmaceutical ingredients (APIs) have low
solubility, which affects their bioavailability. In the last two decades, several alternatives …

Novel cocrystals of itraconazole: Insights from phase diagrams, formation thermodynamics and solubility

NA Vasilev, AO Surov, AP Voronin, KV Drozd… - International Journal of …, 2021 - Elsevier
In this work, the cocrystallization approach was applied to itraconazole (ITR), a very slightly
soluble triazole antifungal drug, which led to the formation of two new solid forms of ITR with …

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 …

[HTML][HTML] Influence of Solvent Polarity on the Conformer Ratio of Bicalutamide in Saturated Solutions: Insights from NOESY NMR Analysis and Quantum-Chemical …

VV Sobornova, KV Belov, MA Krestyaninov… - International Journal of …, 2024 - mdpi.com
The study presents a thorough and detailed analysis of bicalutamide's structural and
conformational properties. Quantum chemical calculations were employed to explore the …

Feasibility of thermal methods on screening, characterization and physicochemical evaluation of pharmaceutical cocrystals

H Liu, HHY Tong, Z Zhou - Journal of Thermal Analysis and Calorimetry, 2022 - Springer
Pharmaceutical cocrystals, an important multi-component complex compressing at least two
molecules linked by noncovalent bonds within the same crystal lattice, have shown a great …

Tuning Caco-2 permeability by cocrystallization: Insights from molecular dynamics simulation

N Pandey, N Kumari, P Roy, SK Mondal… - International journal of …, 2024 - Elsevier
Emerging evidence suggests that intestinal permeability can be potentially enhanced
through cocrystallization. However, a mechanism for this effect remains to be established. In …

Computational evaluation of halogen-bonded cocrystals enables prediction of their mechanochemical interconversion reactions

L Kumar, K Leko, V Nemec, D Trzybiński… - Chemical …, 2023 - pubs.rsc.org
Periodic density-functional theory (DFT) calculations were used to predict the
thermodynamic stability and the likelihood of interconversion between a series of halogen …

Combined virtual and experimental screening of multicomponent crystals of 2, 4-dichlorophenoxyacetic acid

J Li, C Li, X Ji, Q Sun, Z Li, H Liu, L Zhou… - New Journal of …, 2022 - pubs.rsc.org
2, 4-Dichlorophenoxyacetic acid (2, 4-D) is an herbicide and plant growth regulator that is
widely applied in crop production. New multicomponent crystals of 2, 4-D have been …