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,

Association of specific expansins with growth in maize leaves is maintained under environmental, genetic, and developmental sources of variation

Francois Tardieu (2007, [Artículo])

Environmental Stimuli Expansins CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA CELLS CROPS GENETIC ENGINEERING PROTEINS TISSUE EPIDERMIS ZEA MAYS

El arte de ser multifuncional: proteínas "workaholic"

ROSA ESTELA QUIROZ CASTAÑEDA JOSE HUGO AGUILAR DIAZ (2023, [Artículo])

La multifuncionalidad es una ventaja que la evolución le ha concedido sólo a algunas bacterias. Sí, la evolución, ese proceso que nos traído hasta donde estamos hoy y que nos seguirá empujando para prevalecer en los ambientes más hostiles de nuestro medio ambiente. ¿Y cómo es que la evolución ha sido tan benévola con algunos organismos? Las condiciones de vida no son las mismas para todos, hay situaciones en las que se requiere hacer un uso eficiente de la función de las proteínas con las que cuenta cada organismo. Es el caso de de las proteínas. Existen aquéllas que logran realizar más de una función a través de modificaciones que hacen de su propia estructura, pero otras, sin cambiar su estructura, pueden hacer más de una función. Esto resulta increíble como estrategia para muchas bacterias que, por azares de la evolución, han tenido que mantener un genoma pequeño. El genoma almacena toda la información para crear un organismo nuevo y realizar sus funciones biológicas básicas. Este genoma posee un código de cuatro letras llamadas bases, que se organizan en pares y crean millones de combinaciones que resultan en la diversidad biológica que conocemos.

BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA proteinas,

Salivary effector Sm9723 of grain aphid sitobion miscanthi suppresses plant defense and is essential for aphid survival on wheat

Yong Zhang Leonardo Abdiel Crespo Herrera Julian Chen (2022, [Artículo])

Cereal Aphid Salivary Protein Plant Immunity RNA Interference Aphid Performance CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA APHIDOIDEA PLANTS RNA PROTEINS

Epistasis activation contributes substantially to heterosis in temperate by tropical maize hybrids

Liu Xiaogang Yunbi Xu (2022, [Artículo])

Genome-Wide Association Study Epistatic Effects Protein Interaction Multiple-Hybrid Population CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA HETEROSIS MAIZE PROTEINS HYBRIDS

Remote sensing of quality traits in cereal and arable production systems: A review

Zhenhai  Li xiuliang jin Gerald Blasch James Taylor (2024, [Artículo])

Cereal is an essential source of calories and protein for the global population. Accurately predicting cereal quality before harvest is highly desirable in order to optimise management for farmers, grading harvest and categorised storage for enterprises, future trading prices, and policy planning. The use of remote sensing data with extensive spatial coverage demonstrates some potential in predicting crop quality traits. Many studies have also proposed models and methods for predicting such traits based on multi-platform remote sensing data. In this paper, the key quality traits that are of interest to producers and consumers are introduced. The literature related to grain quality prediction was analyzed in detail, and a review was conducted on remote sensing platforms, commonly used methods, potential gaps, and future trends in crop quality prediction. This review recommends new research directions that go beyond the traditional methods and discusses grain quality retrieval and the associated challenges from the perspective of remote sensing data.

Quality Traits Grain Protein CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA REMOTE SENSING QUALITY GRAIN PROTEINS CEREALS PRODUCTION SYSTEMS

DIW1 encoding a clade I PP2C phosphatase negatively regulates drought tolerance by de-phosphorylating TaSnRK1.1 in wheat

Jingyi Wang Chaonan Li Long Li Matthew Paul Reynolds Jizeng Jia Xinguo Mao Ruilian Jing (2023, [Artículo])

Association Analysis Elite Genetic Resources Map‐Based Clones Protein Phosphatase 2C CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA DROUGHT GENETIC RESOURCES PROTEINS WHEAT WILTING

Estimation of general and specific combining ability effects for quality protein maize inbred lines

Adefris Teklewold Dagne Wegary Gissa (2022, [Artículo])

General Combining Ability Specific Combining Ability CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA COMBINING ABILITY MAIZE PROTEIN QUALITY INBRED LINES DATA ANALYSIS

Results from rapid-cycle recurrent genomic selection in spring bread wheat

Susanne Dreisigacker Paulino Pérez-Rodríguez Leonardo Abdiel Crespo Herrera Alison Bentley Jose Crossa (2023, [Artículo])

Genomic-Assisted Breeding Molecular Markers Pedigree Information Genomic Prediction CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA GENOMICS GENETIC MARKERS WHEAT BREEDING PROGRAMMES

Novel SSR markers from BAC-end sequences, DArT arrays and a comprehensive genetic map with 1,291 marker loci for chickpea (Cicer arietinum L.)

MAHENDAR THUDI Abhishek Bohra Spurthi Nayak Trushar Shah R. Varma Penmetsa Nepolean Thirunavukkarasu Pooran Gaur Pawan Kulwal Hari Upadhyaya Polavarapu Kavi Kishor Rajeev Varshney (2011, [Artículo])

Molecular Markers Recombinant Inbred Lines CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA GENETIC MARKERS MICROSATELLITES PLANTS DNA CHICKPEAS ARRAYS TECHNOLOGY CHROMOSOME MAPPING GENETIC VARIATION GENOTYPES MOLECULAR CLONING