Understanding the impact of halogenation on the crystalline photomechanical response properties of 9-anthracene carboxylic acid from first-principles

CJ Perry, GJO Beran - Crystal Growth & Design, 2023 - ACS Publications
Photomechanical organic crystals transform light into mechanical work via solid-state
photochemical reactions. While many examples of photomechanical systems have been …

Differentiation of solvatomorphs of active pharmaceutical ingredients (API) by solid-state vibrational circular dichroism (VCD)

JE Rode, J Wasilczenko, M Górecki - Spectrochimica Acta Part A …, 2024 - Elsevier
Here, we present the new application of solid-state Vibrational Circular Dichroism (VCD)
spectroscopy to differentiate several dutasteride (DS) solvatomorphs–the model active …

Study of the Polymorphic Transformation Mechanism and Crystal Habits Control of Peramivir from Dihydrate to Trihydrate

S Ge, M Fu, Z Cai, D Gu, Y Ma, H Wang… - Crystal Growth & …, 2024 - ACS Publications
Peramivir is an effective antiviral drug for treating influenza A and B with the trihydrate form
as the solid serving. However, a small amount of dihydrate still exists during the …

Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration

SK Rai, A Gunnam, D Roy, R Rajput, K Kulkarni… - …, 2023 - pubs.rsc.org
A multi-kinase inhibitor, pazopanib (PAZ) is cocrystallized with cyclooxygenase (COX)
inhibitor fenamic acids to investigate the dissolution rate and inhibition of cell migration in …

Probing Short-Range Interactions in Isostructural Hydrate and Perhydrate of Dabrafenib by Magic-Angle Spinning Solid-State NMR

SK Rai, LR Potnuru, NT Duong, T Yamazaki… - Analytical …, 2024 - ACS Publications
Dabrafenib (DBF), an anticancer drug, exhibits isostructural properties in its hydrate (DBF⊃
H 2 O) and perhydrate (DBF⊃ H 2 O 2) forms, as revealed by single-crystal X-ray diffraction …

Importance of Structural Databases, Molecular Pharmacophores, Supramolecular Heterosynthons, and Artificial Intelligence–Machine Learning–Neural Network Tools …

AK Nangia - Crystal Growth & Design, 2024 - ACS Publications
The progress and growth of drug discovery and development (DDD) in the past five decades
are reviewed in terms of the changing trends over the years. The importance of the …

Prolific Solid-Form Landscape of Probucol: Crystallization from Solutions

JA Baptista, RAE Castro, E Fantechi… - Crystal Growth & …, 2025 - ACS Publications
In this work, the solid-form landscape of probucol is investigated by crystallization from
solutions in various solvents (methanol, ethanol, acetonitrile, and dichloromethane), under …

Polymorphs and Solvates of Molnupiravir: Crystal Structures and Solid Forms Transformation Analysis

P Han, L Wang, S Song, C Yao, X Tao… - Crystal Growth & …, 2024 - ACS Publications
Molnupiravir (MPV) is a widely used oral anti-COVID-19 drug. Owing to the rotatable bonds
and the large number of acceptors and donors of hydrogen bonds in the molecular structure …

Role of Molecular Packing in Solvent-Mediated Ellagic Acid· Phenazine Co-Crystals Toward Biological Activity Enhancement and Rational Drug Design

J Chen, C Qiu, H Li, X Zheng - Crystal Growth & Design, 2024 - ACS Publications
Ellagic acid (EA), a biologically active polyphenol abundant in various natural plants, has
been widely applied in diverse pharmacological systems. This study investigates cocrystals …

Specific Proton-Donor Properties of Glycine Betaine. Metric Parameters and Enthalpy of Noncovalent Interactions in its Dimer, Water Complexes and Crystalline …

NE Frolov, AV Shishkina, MV Vener - International Journal of Molecular …, 2023 - mdpi.com
Trimethylglycine (glycine betaine, GB) is an important organic osmolyte that accumulates in
various plant species in response to environmental stresses and has significant potential as …