Investigation of Cyclobenzaprine Interactions with P450 Cytochromes CYP1A2 and CYP3A4 through Molecular Docking Tools
Journal Title: Traektoriâ Nauki - Year 2019, Vol 5, Issue 2
Abstract
Cyclobenzaprine (CBP) is a centrally acting muscle relaxant whose myriad of therapeutic applications imply the need of better understanding its pharmacokinetics and thermodynamics. Henceforth, this work was concerned with an in silico investigation of CBP main metabolizers in the human organism, namely CYP1A2 and CYP3A4. For this purpose, computational methods were employed, such as molecular docking and other semi-empirical approaches. Results evidenced that the model herein depicted for CBP-CYP1A2 may not reproducibly represent the physiological interaction between CBP and this enzyme. Moreover, CBP-CYP3A4 docking results evidence thermodynamic feasibility of the molecular docking model and were further corroborated by literature, what may reproducibly represent a possible interaction between CBP and this macromolecule.
Authors and Affiliations
Douglas Vieira Thomaz, Edson Silvio Batista Rodrigues, Fábio Bahls Machado, Isaac Yves Lopes de Macedo
Keywords
Related Articles
- EP ID EP551210
- DOI 10.22178/pos.43-1
- Views 95
- Downloads 0
Theories of Civilizations by François Gizo and Joseph Gobino: Problem Statement [Теорії цивілізацій Франсуа Гізо та Жозефа Гобіно: до постановки проблеми]
The problems of the development and interaction of civilizations have been of great interest to the representatives of various scientific fields for a long time. The period of the second half of the 18th - the first half...
Dimensionality and Reliability of the Determinants of Reverse Mortgage Use Intention
The decision to use reverse mortgage is influenced by a myriad of factors among which some are behaviourally related. Identification and validation of these behavioural factors are necessary to be able to objectively exp...
Big Data, Analyzing and Modelling: New Ways of Health Improvement and Regional Aspects
The field of health improvement and life prolonging develops poorly, despite all the advances in medicine, chemistry and genetic engineering. Among the main problems is the difficulty of using new scientific achievements...
Мировой опыт применения инноваций в формировании стратегий развития компаний [World experience of application of innovations in formation the company’s strategy of development]
В современных экономических условиях инновации являются ключевым фактором конкурентоспособности компаний. Национальная конкурентоспособность достигается усилиями на всех уровнях экономики, но, прежде всего – на уровне от...
Criteria of Assessment of the Auditor’s Judgment Evidence [Критерії оцінки доказовості аудиторського судження]
The article presents the results of the study on the formation of an independent opinion of the reliability of financial accounting, which is reflected in the auditor’s report and is based on his intermediate conclusions...