A Computational Method for the Binding Mode Prediction of COX-1 and COX-2 Inhibitors: Analyzing the Union of Coxibs, Oxicams, Propionic and Acetic Acids

ESTEFANY BELLO VARGAS JOSE MARIO ORDOÑEZ PALACIOS (2023, [Artículo])

Among the biological targets extensively investigated to improve inflammation and chronic inflammatory conditions, cyclooxygenase enzymes (COXs) occupy a prominent position. The inhibition of these enzymes, essential for mitigating inflammatory processes, is chiefly achieved through Non-Steroidal Anti-Inflammatory Drugs (NSAIDs). In this work, we introduce a novel method—based on computational molecular docking—that could aid in the structure-based design of new compounds or the description of the anti-inflammatory activity of already-tested compounds. For this, we used eight crystal complexes (four COX-1 and COX-2 each), and each pair had a specific NSAID: Celecoxib, Meloxicam, Ibuprofen, and Indomethacin. This selection was based on the ligand selectivity towards COX-1 or COX-2 and their binding mode. An interaction profile of each NSAID was compiled to detect the residues that are key for their binding mode, highlighting the interaction made by the Me group. Furthermore, we rigorously validated our models based on structural accuracy (RMSD < 1) and (R2 > 70) using eight NSAIDs and thirteen compounds with IC50 values for each enzyme. Therefore, this model can be used for the binding mode prediction of small and structurally rigid compounds that work as COX inhibitors or the prediction of new compounds that are designed by means of a structure-based approach.

BIOLOGÍA Y QUÍMICA QUÍMICA anti-inflammatory, cyclooxygenase (COXs), molecular docking, NSAIDs, Celecoxib, Meloxicam, Ibuprofen,

La Pera: Área Natural Protegida que atesora alta biodiversidad en Chiapas, México

MARCO ANTONIO GARCIA JIMENEZ CANDELARIO CUNDAPÍ PÉREZ (2023, [Artículo])

En México, con la finalidad de preservar los ecosistemas naturales del país, la Comisión Nacional de Áreas Naturales Protegidas (CONANP) administra 185 áreas de carácter federal, mientras que la Secretaría de Medio Ambiente e Historia Natural (SEMAHN) en Chiapas, administra 28 de carácter estatal. Sin embargo, estas últimas son poco conocidas y es importante difundir la riqueza biológica que resguardan. La Pera, en Chiapas, alberga 1033 especies de flora y fauna, de las cuales 109 están protegidas por las normas nacionales, algunas son endémicas al estado y a México. Conocer la presencia de especies prioritarias en el área nos proporciona herramientas para la conservación de la reserva.

BERRIOZABAL CORREDOR BIOLOGICO ZOQUE ESPECIES PRIORITARIAS LOCALIDAD TIPO BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOLOGÍA VEGETAL (BOTÁNICA) ECOLOGÍA VEGETAL ECOLOGÍA VEGETAL

Evaluación de la actividad antiviral de epóxido de zeylanona y derivados

IVAN HUMBERTO CHAN ZAPATA (2023, [Tesis de doctorado])

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOQUÍMICA BIOLOGÍA MOLECULAR BIOLOGÍA MOLECULAR

Análisis diferencial de expresión génica de los fotosistemas I y II en cloroplastos y proplástidos aislados de plántulas in vitro verdes y albinas de Agave angustifolia Haw.

LUIS FERNANDO NUÑEZ BECERRIL (2024, [Tesis de maestría])

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOQUÍMICA BIOLOGÍA MOLECULAR BIOLOGÍA MOLECULAR

Integrative taxonomy and molecular phylogeny of genus Aplysina (Demospongiae: Verongida) from Mexican Pacific

José Antonio Cruz-Barraza (2012, [Artículo])

Integrative taxonomy provides a major approximation to species delimitation based on integration of different perspectives (e.g. morphology, biochemistry and DNA sequences). The aim of this study was to assess the relationships and boundaries among Eastern Pacific Aplysina species using morphological, biochemical and molecular data. For this, a collection of sponges of the genus Aplysina from the Mexican Pacific was studied on the basis of their morphological, chemical (chitin composition), and molecular markers (mitochondrial COI and nuclear ribosomal rDNA: ITS1-5.8-ITS2). Three morphological species were identified, two of which are new to science. A. clathrata sp. nov. is a yellow to yellow-reddish or -brownish sponge, characterized by external clathrate-like morphology; A. revillagigedi sp. nov. is a lemon yellow to green, cushion-shaped sometimes lobate sponge, characterized by conspicuous oscules, which are slightly elevated and usually linearly distributed on rims; and A. gerardogreeni a known species distributed along the Mexican Pacific coast. Chitin was identified as the main structural component within skeletons of the three species using FTIR, confirming that it is shared among Verongida sponges. Morphological differences were confirmed by DNA sequences from nuclear ITS1-5.8-ITS2. Mitochondrial COI sequences showed extremely low but diagnostic variability for Aplysina revillagigedi sp. nov., thus our results corroborate that COI has limited power for DNA-barcoding of sponges and should be complemented with other markers (e.g. rDNA). Phylogenetic analyses of Aplysina sequences from the Eastern Pacific and Caribbean, resolved two allopatric and reciprocally monophyletic groups for each region. Eastern Pacific species were grouped in general accordance with the taxonomic hypothesis based on morphological characters. An identification key of Eastern Pacific Aplysina species is presented. Our results constitute one of the first approximations to integrative taxonomy, phylogeny and evolutionary biogeography of Eastern Pacific marine sponges; an approach that will significantly contribute to our better understanding of their diversity and evolutionary history. © 2012 Cruz et al.

chitin, genomic DNA, mitochondrial DNA, molecular marker, ribosome DNA, allopatry, Aplysina clatharata, Aplysina gerardogreeni, Aplysina revillagigedi, article, DNA barcoding, DNA sequence, genetic polymorphism, genetic variability, infrared spectros CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA CIENCIAS DE LA TIERRA Y DEL ESPACIO OCEANOGRAFÍA OCEANOGRAFÍA

Estudio transcriptómico y proteómico de la biogénesis del cloroplasto en el modelo albino de Agave angustifolia Haw.

MAURICIO ANDRADE MARCIAL (2023, [Tesis de doctorado])

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOQUÍMICA BIOLOGÍA MOLECULAR BIOLOGÍA MOLECULAR

Aportaciones al género Pestalotiopsis: identificación taxonómica, actividad antagonista y perfil químico de cepas aisladas del trópico y subtrópico de México

KARLA DANAE VERA PEREGRINO (2023, [Tesis de maestría])

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOQUÍMICA BIOLOGÍA MOLECULAR BIOLOGÍA MOLECULAR

Proteomic and molecular study of somatic embryogenesis in Coffea spp.

ANA ODETTH QUINTANA ESCOBAR (2023, [Tesis de doctorado])

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOLOGÍA MOLECULAR BIOLOGÍA MOLECULAR DE PLANTAS BIOLOGÍA MOLECULAR DE PLANTAS

Identificación y clonación de genes relacionados a la biosíntesis del ácido betulínico en Pentalinon andrieuxii

ALEXA SHARAI AGUILAR ACEVEDO (2022, [Tesis de maestría])

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOLOGÍA MOLECULAR BIOLOGÍA MOLECULAR DE PLANTAS BIOLOGÍA MOLECULAR DE PLANTAS

Identificación de patógenos de anfibios en un bosque nublado del noroeste de Honduras

CARLOS AUGUSTO ANDINO GALEANO (2024, [Tesis de maestría])

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOLOGÍA MOLECULAR BIOLOGÍA MOLECULAR DE PLANTAS BIOLOGÍA MOLECULAR DE PLANTAS