Molecular Dynamics Simulation of Kynurenine Aminotransferase Type II with Nicotine as a Ligand: A Possible Biochemical Role of Nicotine in Schizophrenia

Autor: Diego E. Valencia, Badhin Gómez, Haruna L Barazorda-Ccahuana, Christian Zevallos-Delgado

Publikováno v: ACS Omega, Vol 4, Iss 1, Pp 710-717 (2019)

Homodimeric KATII is an enzyme involved in l-kynurenine transamination to kynurenic acid. The increase in kynurenic acid concentration is predominant in schizophrenia and other disorders. Currently, the search for new KATII inhibitors continues to be

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd6e67ef4370062017928f48c76a07f0
https://doaj.org/article/74e46489bf374262bd7cdc08bc15dd80

COVID-19 the pandemic and what do we know about it? And how Peru faces it

Autor: Jorge Alberto Aguilar-Pineda, Diego E. Valencia, Gonzalo Dávila-del-Carpio, Badhin Gómez, Rita Nieto-Montesinos, Karin J. Vera-López, Miguel Angel Chavez Fumagalli, Christian L. Lino Cardenas

Publikováno v: Veritas; Vol. 21 Núm. 2 (2020): VÉRITAS: Investigación, Innovación y Desarrollo; 85-93
Revistas-Universidad Católica de Santa María
Universidad Católica de Santa María
instacron:UCSM

The novel coronavirus disease 2019 or COVID-19, had been reported for the first time in December 2019, in Wuhan China. To date, around 6 777 435 cases of COVID-19 were confirmed and 395 597 deaths worldwide. The COVID-19 outbreak is the largest in th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e5890d67b0193617da001ea86fe8cf5
https://revistas.ucsm.edu.pe/ojs/index.php/veritas/article/view/284

Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics

Autor: Jorge Alberto Aguilar-Pineda, Badhin Gómez, Haruna L Barazorda-Ccahuana, Diego E. Valencia

Publikováno v: CONCYTEC-Institucional
Consejo Nacional de Ciencia Tecnología e Innovación Tecnológica
instacron:CONCYTEC
ACS Omega, Vol 3, Iss 12, Pp 17254-17260 (2018)

Profilins are panallergenic proteins of clinical relevance. We compared three groups of three-dimensional structures from six vegetable profilins. The first group was composed of crystal structures obtained by X-ray diffraction. The second and the th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc421fa2a1ffc1ec77f87b5028f984a2
https://doi.org/10.1021/acsomega.8b02288

Theoretical study of the antioxidant capacity of the flavonoids present in the Annona muricata (Soursop) leaves

Autor: María Fernanda Manrique-de-la-Cuba, Badhin Gómez, Diego E. Valencia, Pamela L Gamero-Begazo, Haruna L Barazorda-Ccahuana

Publikováno v: Journal of molecular modeling. 25(7)

A theoretical approach was used to evaluate the antioxidant capacity of 20 flavonoids reported in Annona muricata leaves. The theoretical study was at the GGA level using the wB97XD functional and the cc-pvtz basis set. The calculations were performe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3e6f6070bba21f446f210e7f2ca422c
https://pubmed.ncbi.nlm.nih.gov/31240483

Effect of substituents on 3(S)-amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one: a DFT study

Autor: Haruna Barazorda, Jerónimo Lira, Badhin Gómez, Diego E. Valencia, Jaime Cárdenas-Garcia

Publikováno v: Theoretical Chemistry Accounts. 138

PF04859989 is a potential novel drug designed to attenuate symptoms of Schizophrenia. We analyzed the substitution effect on PF04859989 using three functional, which included the long-range correction. The substituents were both donor and attractor e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6124e134de629912a7ec9559b6089ab5
https://doi.org/10.1007/s00214-018-2403-0