Zobrazeno 1 - 10
of 105
pro vyhledávání: '"Rafel Prohens"'
Autor:
Rafael Barbas, Hanan Fael, Samuel Lee, Rebeca Ruiz, Christopher A. Hunter, Elisabet Fuguet, Clara Ràfols, Rafel Prohens
Publikováno v:
Pharmaceutics, Vol 14, Iss 11, p 2310 (2022)
The application of a computational screening methodology based on the calculation of intermolecular interaction energies has guided the discovery of new multicomponent solid forms of the oral antiviral Adefovir Dipivoxyl. Three new cocrystals with re
Externí odkaz:
https://doaj.org/article/c01151c7f62f4c8da8774c40da48264b
Publikováno v:
Crystals, Vol 12, Iss 8, p 1020 (2022)
The crystal structure of a new zonisamide cocrystal, an anticonvulsant drug used to treat the symptoms of epilepsy and Parkinson’s disease, with ϵ-caprolactam is reported herein. The structure has been solved by direct space methodologies from pow
Externí odkaz:
https://doaj.org/article/3bef6cb1bde64a3a90099fbd1f4b4797
Publikováno v:
Crystals, Vol 12, Iss 6, p 823 (2022)
In this work the crystal structure of the previously described orthorhombic polymorph of the coupling reagent Oxyma has been revised, corrected now as centrosymmetric and analyzed by means of DFT calculations. In the solid state the structure forms a
Externí odkaz:
https://doaj.org/article/d4972e48db5c42f7955583220399b2e3
Autor:
Rafel Prohens, Christopher A Hunter
Publikováno v:
ADMET and DMPK, Vol 6, Iss 4, Pp 284-287 (2018)
The calculation of Surface Site Interaction Points for cocrystal computational screens in combination with efficient experimental cocrystallization techniques has been applied successfully to several drug compounds. The basics of this combined approa
Externí odkaz:
https://doaj.org/article/abf633c85c85454db341d4defdb82987
Autor:
Francisco Javier Acebedo-Martínez, Carolina Alarcón-Payer, Antonio Frontera, Rafael Barbas, Rafel Prohens, Milena Di Crisci, Alicia Domínguez-Martín, Jaime Gómez-Morales, Duane Choquesillo-Lazarte
Publikováno v:
Pharmaceutics, Vol 13, Iss 12, p 2140 (2021)
Any time the pharmaceutical industry develops a new drug, potential polymorphic events must be thoroughly described, because in a crystalline pharmaceutical solid, different arrangements of the same active pharmaceutical ingredient can yield to very
Externí odkaz:
https://doaj.org/article/89dbc99e9187492d9c72e36752169efa
Publikováno v:
Pharmaceutics, Vol 14, Iss 1, p 49 (2021)
A new cocrystal of Norfloxacin, a poorly soluble fluoroquinolone antibiotic, has been synthetized by a solvent-mediated transformation experiment in toluene, using resorcinol as a coformer. The new cocrystal exists in both anhydrous and monohydrate f
Externí odkaz:
https://doaj.org/article/f60bd92e12a749db892ba3789c999fff
Publikováno v:
Mathematics, Vol 8, Iss 12, p 2153 (2020)
In the study of brain connectivity, an accessible and convenient way to unveil local functional structures is to infer the time trace of synaptic conductances received by a neuron by using exclusively information about its membrane potential (or volt
Externí odkaz:
https://doaj.org/article/39880ff850754c7b95acd5b7ed097665
Publikováno v:
Crystals, Vol 10, Iss 12, p 1126 (2020)
Herein, the X-ray powder diffraction (XRPD) crystal structure of a new Sildenafil cocrystal is reported, where resorcinol has been used as the coformer. The crystal structure has been solved by means of direct space methods used in combination with d
Externí odkaz:
https://doaj.org/article/ab22ac0ab29543cdb5fc43b96da0211f
Publikováno v:
CrystEngComm. 24:5105-5111
This manuscript reports the discovery of new cocrystals of bosentan, a drug used in the treatment of pulmonary artery hypertension, via a combined virtual/experimental cocrystal screening.
Publikováno v:
CrystEngComm. 24:3347-3354
We report a computational and crystallographic analysis of tipiracil hydrochloride (methanol solvate–hydrate). It shows a complex network of H-bonds with static discrete disorder in two out of the three symmetry-independent solvent molecules.