Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenylthiazol-2-yl)acetamide

Autor: Angel D. Herrera-España, Jesús Aguilera-González, Gonzalo J. Mena-Rejón, Simón Hernández-Ortega, David Cáceres-Castillo

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 717-720 (2019)

Two crystallographically independent molecules (A and B) are present in the asymmetric unit of the title compound, C11H9IN2OS, which differ mainly in the dihedral angle between the phenyl and thiazole rings [38.94 (16) and 32.12 (15)°, respectively]

Externí odkaz: https://doaj.org/article/c524d8c83621432b9f6937fde0cc03a6

Lupeol acetate isolated from Chrysophyllum cainito L. fruit as a template for the synthesis of N-alkyl-arylsulfonamide derivatives and their synergistic effects with metronidazole against Trichomonas vaginalis

Autor: Angel D. Herrera-España, Julio A. Aguiar-Pech, M. Elizbeth Alvarez-Sánchez, Victor E. Arana-Argáez, Cynthia K. Palomar-Gómez, Armin G. Jiménez-Ross, David Cáceres-Castillo, Rubén M. Carballo, Julio C. Torres-Romero

Publikováno v: Natural Product Research. 36:5508-5516

Pentacyclic triterpenes are found in a great variety of natural products and constitute an organic template for the development of new derivative compounds with therapeutic applications. In the present work, lupeol acetate isolated from Chrysophyllum

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd72ccafa942f71af14f08e20073abfd
https://doi.org/10.1080/14786419.2021.2018429

Theoretical insight into the on-water catalytic effect in the biogenesis of triterpene dimers: from one-step to two-step hetero Diels–Alder reactions

Autor: Carolina S. Castro-Segura, Mariana Quesadas-Rojas, Gonzalo J. Mena-Rejón, David Cáceres-Castillo, Ramiro F. Quijano-Quiñones

Publikováno v: New Journal of Chemistry. 45:22417-22423

The reaction for the formation of the xuxuarine Aα triterpene dimer in an aqueous medium was studied using the ONIOM/CPCM-X scheme at the ONIOM(M06-2X/6-31G(d,p):PM6) level of theory, along with the inclusion of one and two explicit water molecules.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7c941bf08f19beccd78fb5c838a90de3
https://doi.org/10.1039/d1nj04221a

Synthesis, in vitro antigiardial activity, SAR analysis and docking study of substituted chalcones

Autor: Manlio Graniel-Sabido, Rubén M. Carballo, Gumersindo Mirón-López, Rosa Moo-Puc, David Cáceres-Castillo, Gonzalo J. Mena-Rejón, Ramiro F. Quijano-Quiñones

Publikováno v: Medicinal Chemistry Research. 29:431-441

A series of 15 chalcones-bearing substituents at positions 2, 4, and 5 of rings A and B were synthesized using microwave-assisted Claissen–Smichdt condensation and evaluated for their activity against Giardia lamblia and Green monkey kidney cells.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1368cbc06b3fe9195d4b9d6cd358cc13
https://doi.org/10.1007/s00044-019-02492-5

Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenyl­thia­zol-2-yl)acetamide

Autor: Angel D. Herrera-España, Jesús Aguilera-González, Simón Hernández-Ortega, David Cáceres-Castillo, Gonzalo J. Mena-Rejón

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications
Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 717-720 (2019)

The title compound crystallizes with two independent mol­ecules in the asymmetric unit. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, C—H⋯π, I⋯S and I⋯I inter­actions into a three-dimensional network.
Two crystal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d558b10d33d350b2abbb7a1aba38c4b
http://europepmc.org/articles/PMC6658950