Molecular Human Targets of Bioactive Alkaloid-Type Compounds from Tabernaemontana cymose Jacq.

Abstract

Alkaloids are a group of secondary metabolites that have been widely studied for the discovery of new drugs due to their properties on the central nervous system and their anti-inflammatory, antioxidant and anti-cancer activities. Molecular docking was performed for 10 indole alkaloids identified in the ethanol extract of Tabernaemontana cymosa Jacq. with 951 human targets involved in different diseases. The results were analyzed through the KEGG and STRING databases, finding the most relevant physiological associations for alkaloids. The molecule 5-oxocoronaridine proved to be the most active molecule against human proteins (binding energy affinity average = −9.2 kcal/mol) and the analysis of the interactions between the affected proteins pointed to the PI3K/ Akt/mTOR signaling pathway as the main target. The above indicates that indole alkaloids from T. cymosa constitute a promising source for the search and development of new treatments against different types of cancer.

Investigation on the Mechanisms of Zanthoxylum bungeanum for Treating Diabetes Mellitus Based on Network Pharmacology, Molecular Docking, and Experiment Verification

“…It is speculated that Zanthoxylum bungeanum may play a hypoglycemic effect by inhibiting the inflammatory response. The pathways involved in HSP90AA1 include BH4 synthesis, recycling, recovery, and regulation, eNOS activation, and VEGFR2-mediated vascular permeability [ 30 ], consistent with the pathways involved in the treatment of diabetes by Zanthoxylum bungeanum. As a class of nuclear protein transcription factors, FOS proteins play an important role in regulating cell growth, division, proliferation, and programmed death [ 31 ].…”

Phytochemical characterization of callus cultures from the endangered plant Crocus scepusiensis (Rehm. & Woł.) Borbás ex Kulcz.

“…Also, some literature mention that, different parts of the Crocus plant, such as the flowers, corms, or stigmas, can contain varying concentrations of secondary metabolites, which are compounds not directly involved in the plant's growth but often have important roles, such as in defense or attraction (Mykhailenko et al 2019). alkaloid, voacristine, and the diterpenoid, tetramethyl oxotetrahydro naphthalenyl methylpentanoic acid, respectively (Oliveros-Díaz et al 2021;Fiehn Lab 2023). The presence of coumaric acid, alkaloids and diterpenoids were previously reported from other Crocus species (Mykhailenko et al 2019).…”