Pharmaceutical solvates, hydrates and amorphous forms: A special emphasis on cocrystals

AM Healy, ZA Worku, D Kumar, AM Madi - Advanced drug delivery reviews, 2017 - Elsevier
Active pharmaceutical ingredients (APIs) may exist in various solid forms, which can lead to
differences in the intermolecular interactions, affecting the internal energy and enthalpy, and …

Pharmaceutical hydrates analysis—overview of methods and recent advances

E Jurczak, AH Mazurek, Ł Szeleszczuk, DM Pisklak… - Pharmaceutics, 2020 - mdpi.com
This review discusses a set of instrumental and computational methods that are used to
characterize hydrated forms of APIs (active pharmaceutical ingredients). The focus has been …

Crystal engineering: from molecule to crystal

GR Desiraju - Journal of the American Chemical Society, 2013 - ACS Publications
How do molecules aggregate in solution, and how do these aggregates consolidate
themselves in crystals? What is the relationship between the structure of a molecule and the …

Solvates, salts, and cocrystals: a proposal for a feasible classification system

E Grothe, H Meekes, E Vlieg, JH Ter Horst… - Crystal growth & …, 2016 - ACS Publications
The design of pharmaceutical cocrystals has initiated widespread debate on the
classification of cocrystals. Current attempts to classify multicomponent crystals suffer from …

Rational coformer or solvent selection for pharmaceutical cocrystallization or desolvation

YA Abramov, C Loschen, A Klamt - Journal of pharmaceutical sciences, 2012 - Elsevier
It is demonstrated that the fluid-phase thermodynamics theory conductor-like screening
model for real solvents (COSMO-RS) as implemented in the COSMOtherm software can be …

Acid··· Amide supramolecular synthon in cocrystals: from spectroscopic detection to property engineering

S Saha, GR Desiraju - Journal of the American Chemical Society, 2018 - ACS Publications
The acid··· amide dimer heterosynthon in cocrystals of aromatic acids and primary amides is
identified by marker peaks in the IR spectra that are characteristic of individual N–H··· O and …

Comprehending the formation of eutectics and cocrystals in terms of design and their structural interrelationships

S Cherukuvada, TN Guru Row - Crystal growth & design, 2014 - ACS Publications
The phenomenon of cocrystallization, which encompasses the art of making multicomponent
organic solids such as cocrystals, solid solutions, eutectics, etc. for novel applications, has …

Salt and cocrystals of sildenafil with dicarboxylic acids: solubility and pharmacokinetic advantage of the glutarate salt

P Sanphui, S Tothadi, S Ganguly… - Molecular …, 2013 - ACS Publications
Sildenafil is a drug used to treat erectile dysfunction and pulmonary arterial hypertension.
Because of poor aqueous solubility of the drug, the citrate salt, with improved solubility and …

Validation of a computational cocrystal prediction tool: comparison of virtual and experimental cocrystal screening results

T Grecu, CA Hunter, EJ Gardiner… - Crystal growth & …, 2014 - ACS Publications
A virtual cocrystal screening method based on calculated gas phase molecular electrostatic
potential surfaces (MEPS) of the individual components has been validated using …

Mechanochemical synthesis of pharmaceutical cocrystal suspensions via hot melt extrusion: feasibility studies and physicochemical characterization

S Li, T Yu, Y Tian, CP McCoy, DS Jones… - Molecular …, 2016 - ACS Publications
Engineered cocrystals offer an alternative solid drug form with tailored physicochemical
properties. Interestingly, although cocrystals provide many new possibilities, they also …