title: Review of Theoretical Prediction Models for Organic Extract Metabolites, Effect of Drying Temperature on Smooth Muscle Relaxing Activity Induced by Organic Extracts Specially Cecropia Obtusifolia Portal and Web Server Predictors of Drug-Protein Interaction.
abstract: Cecropia obtusifolia bertol is medicinal specie used in the treatment of diabetes mellitus and hypertension and it has scientific studies that support the traditional use. However, it is required to understand the influence of drying temperature on the yield and pharmacological activity. Drying rate, extraction efficiency, changes in the UV-Vis spectrum and estimating chlorophylls were stimulated with the increasing temperature. Finally, relaxant activity of vascular smooth muscle is increased by 70ºC and reducing ability by the method of CARF increases with temperature. Analytical studies are required to identify changes in the metabolic content and those that ensure the safety and efficacy for human consumption. In this sense, bioinformatic studies may be helpful. Studies such as QSAR can help us to study these metabolites derived from natural products. MIND-BETS model and NL MIND-BETS model to predict DPIs was introduced using MARCH-INSIDE (MI) software to calculate structural parameters for drugs and enzymes respectively. We firstly revised the state-of-art on the design with review of previous works with hypertension activity based on theoretical studies. A study, evaluating the effect of drying temperature of leaves of C. obtusifolia on the relaxing of vascular smooth muscle, antioxidant activity and the presence of chlorophylls, with a focus on Cecropia metabolites. Last, we carried out QSAR studies using MIND-BEST and NL MIND-BEST web servers in order to understand the essential metabolites structural requirement for binding with receptors for FDA proteins.
authors.forename: Francisco
authors.initials: F
authors.lastname: Aguirre-Crespo
authors.forename: Xerardo
authors.initials: X
authors.lastname: García-Mera
authors.forename: Mónica Anahi
authors.initials: MA
authors.lastname: Guillén-Poot
authors.forename: Héctor Fernado
authors.initials: HF
authors.lastname: May-Díaz
authors.forename: Adrián
authors.initials: A
authors.lastname: Tun-Suárez
authors.forename: A
authors.initials: A
authors.lastname: Aguirre-Crespo
authors.forename: J
authors.initials: J
authors.lastname: Hernández-Rodríguez
authors.forename: Jorge
authors.initials: J
authors.lastname: Vergara-Galicia
authors.forename: V
authors.initials: V
authors.lastname: Rodríguez-López
authors.affiliation: Biomedical Sciences Department, Health Sciences Division, University of Quintana Roo UQROO, 77039, Mexico. fprado@uqroo.edu.mx.
authors.forename: Francisco J
authors.initials: FJ
authors.lastname: Prado-Prado