Results 41 to 50 of about 3,347 (175)
Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
wiley +1 more source
Cocrystals of Isoniazid with Polyphenols: Mechanochemical Synthesis and Molecular Structure
Crystals, 2020 Isoniazid is used as anti-tuberculosis drug which possesses functional groups capable of forming hydrogen bonds. A series of cocrystals of isoniazid (INH) with polyphenolic coformers such as catechol (CAT), orcinol (ORC), 2-methylresorcinol (MER ...
Juan Saulo González-González +6 more
doaj +1 more source
Preparation and physicochemical characterization of sildenafil cocrystals
Journal of Advanced Pharmaceutical Technology & Research, 2021 Sildenafil is a specific inhibitor of the phosphodiesterase type 5 (PDE-5) enzyme that protects cyclic guanosine monophosphate from breakdown by PDE-5. It is a biopharmaceutical categorization system Class II medication with low bioavailability because ...
Somchai Sawatdee +6 more
doaj +1 more source
Next Generation Hosts for Protein Recognition, Assembly and More
Chemistry – A European Journal, EarlyView.The original design of synthetic receptors for proteins was based on macrocycles with a hydrophobic core and a polar/charged periphery. This design, geared towards protein recognition, facilitates receptor self‐assembly. Macrocycle oligomerization, in turn, contributes to protein assembly as evidenced in many cocrystal structures.
Peter B. Crowley
wiley +1 more source
1D versus 2D cocrystals growth via microspacing in-air sublimation
Nature Communications, 2019 Organic cocrystals have interesting properties owing to synergistic effects of the individual components but development of effective growth methods for molecular cocrystals is still in its primary stage. Here the authors demonstrate a sublimation method
Xin Ye +7 more
doaj +1 more source
Deriving General Energy Predictors for Pnictogen Bonding
Chemistry – A European Journal, EarlyView.This study derives general energetic predictors for pure pnictogen bonds from nitrogen to bismuth based on the potential energy density at the bond critical point. The research highlights the increasing occurrence of secondary interactions for heavier elements.
Jan Langwald, Antonio Frontera
wiley +1 more source
Crystals, 2018 The pre-formulation of pharmaceutical cocrystals and salts is a concept of crystal engineering that has emerged as a promising technique for drug development in pharmaceutical industry.
Ranjit Thakuria, Bipul Sarma
doaj +1 more source
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.Gas–solid interface‐assisted growth strategies have unlocked precise control over crystal structure, morphology, dimension, and molecular packing. The obtained organic semiconductor single crystals represent the ideal candidates for high‐performance organic optoelectronic devices.
Tingyi Yan +8 more
wiley +1 more source
IUCrJ, 2019 The disposition of functional groups can induce variations in the nature and type of interactions and hence affect the molecular recognition and self-assembly mechanism in cocrystals. To better understand the formation of cocrystals on a molecular level,
Na Wang +9 more
doaj +1 more source
Advancing Therapies for Mycobacterial Diseases: From Small Molecules to Host‐Directed Strategies
Medicinal Research Reviews, EarlyView.ABSTRACT The global burden of multidrug‐resistant tuberculosis (MDR‐TB) and the rising incidence of nontuberculous mycobacterial (NTM) infections highlight the urgent need for innovative therapeutic strategies. Current treatments are prolonged, toxic, and increasingly compromised by resistance and limited diagnostic capacity.
Tânia Silva +23 more
wiley +1 more source