Study of the antidiabetic mechanism of berberine compound on FOXO1 transcription factor through molecular docking and molecular dynamics simulations.

CONTEXT: Diabetes mellitus (DM) is a metabolic disorder disease that causes hyperglycemia conditions and associated with various chronic complications leading to mortality. Due to high toxicity of conventional diabetic drugs, the exploration of natural compounds as alternative diabetes treatments has been widely carried out. Previous in silico studies have highlighted berberine, a natural compound, as a promising alternative in antidiabetic therapy, potentially acting through various pathways, including the inhibition of the FOXO1 transcription factor in the gluconeogenesis pathway. However, the specific mechanism by which berberine interacts with FOXO1 remains unclear, and research in this area is relatively limited. Therefore, this study aims to determine the stability of berberine structure with FOXO1 based on RMSD, RMSF, binding energy, and trajectory analysis to determine the potential of berberine to inhibit the gluconeogenesis pathway. This research was conducted by in silico method with molecular docking using AutoDock4.2 and molecular dynamics study using Amber20, then visualized by VMD. METHODS: Docking between ligand and FOXO1 receptor was carried out with Autodock4.2. For molecular dynamics simulations, the force fields of DNA.OL15, protein.ff14SB, gaff2, and tip3p were used.

Berberine and Its Study as an Antidiabetic Compound.

Diabetes mellitus (DM) is a metabolic disorder that causes hyperglycemia conditions and leads to various chronic complications that causes death. The prevalence of diabetes is predicted to continue to increase, and with the high toxicity levels of current diabetes drugs, the exploration of natural compounds as alternative diabetes treatment has been widely carried out, one of which is berberine. Berberine and several other alkaloid compounds, including some of its derivatives, have shown many bioactivities, such as neuraminidase and hepatoprotective activity. Berberine also exhibits antidiabetic activity. As an antidiabetic compound, berberine is known to reduce blood glucose levels, increase insulin secretion, and weaken glucose tolerance and insulin resistance by activating the AMPK pathway. Apart from being an antidiabetic compound, berberine also exhibits various other activities such as being anti-adipogenic, anti-hyperlipidemic, anti-inflammatory, and antioxidant. Many studies have been conducted on berberine, but its exact mechanism still needs to be clarified and requires further investigation. This review will discuss berberine and its mechanism as a natural compound with various activities, mainly as an antidiabetic.

Rapid Probing of Self-Cleaning Activity on Polyester Coated by Titania-Natural Silica Nanocomposite Using Digital Image-Based Colorimetry.

Titania-silica nanocomposites (TiO2-SiO2) show outstanding performance and is very well applied in photocatalysis. In this research, SiO2 extracted from Bengkulu beach sand will be used as a supporting material of the TiO2 photocatalyst for application to polyester fabrics. TiO2-SiO2 nanocomposite photocatalysts were synthesized using the sonochemical method. The coating of the TiO2-SiO2 material on polyester was carried out using the sol-gel-assisted sonochemistry method. The method of determining self-cleaning activity uses a digital image-based colorimetric (DIC) method, which is much simpler than using an analytical instrument. The scanning electron microscopy-energy dispersive X-ray spectroscopy results showed that the sample particles adhered to the fabric surface and the best particle distribution was shown in pure SiO2 and 1:0.5 TiO2-SiO2 nanocomposites. Analysis of Fourier-transform infrared (FTIR) spectroscopy proved the presence of Ti-O and Si-O bonds as well as the typical spectrum of polyester, which indicated that the fabric had been successfully coated with nanocomposite particles. The analysis of the contact angle of the liquid on the polyester surface showed a significant change in the properties of the TiO2 and SiO2 pure coated fabrics, but changes occur only slightly in the other samples. Self-cleaning activity against the degradation of methylene blue dye has been successfully carried out using DIC measurement. The test results showed that the best self-cleaning activity was shown by TiO2-SiO2 nanocomposite with a ratio of 1:0.5 with the degradation ratio reaching 96.8%. Furthermore, the self-cleaning property remains after the washing process, which shows excellent washing resistance.

Current Research of Phytochemical, Medicinal and Non-Medicinal Uses of Uncaria gambir Roxb.: A Review.

Uncaria gambir Roxb. is a plant from Southeast Asia and is widely used as an alternative medicine with various applications. This plant has been widely used in traditional medicine. This paper aims to provide information on U. gambir, a summary of data on phytochemicals and on medical and nonmedical activities. Phytochemical studies reveal biologically active constituents such as flavonoids, phenolics, and alkaloids. Various studies have shown that extracts and compounds obtained from U. gambir have medical uses for their antioxidant, antibacterial, anti-helminthic, anticancer, antifungal, anti-inflammatory, anti-hyperglycemic, anti-hyperuricemic, anti-lipid peroxidation, antihyperlipidemic and other properties. In addition, this extract has other uses, such as adsorbent for dyes and metal ions, as well as corrosion inhibition. Thus, U. gambir, which is commonly used in traditional medicine, is a potential plant for many therapeutic applications and prospects for drug development as well as other applications such as adsorbent and corrosion inhibition.

Photocatalysis of nanocomposite titania-natural silica as antibacterial against Staphylococcus aureus and Pseudomonas aeruginosa.

The entries of pathogenic bacteria into the human body remain a severe problem to health that can be prevented using antibacterial agents. Meanwhile, the photocatalytic technique using semiconductor nanocomposite TiO2-SiO2 has great potential as an antibacterial method. In order to utilize natural resources, SiO2 supporting materials are obtained from the extraction of beach sand due to the high silica content. Therefore, this study aims to synthesize a nanocomposite of TiO2 with SiO2 extracted from beach sand as an antibacterial agent against Staphylococcus aureus and Pseudomonas aeruginosa. The antibacterial activity test used the dilution and optical density method. Based on XRD analysis, the crystals of TiO2 in the synthesized composites showed a more dominant anatase structure. Furthermore, Ti-O-Si bonds were identified from the IR spectrum, which showed the interaction between TiO2 and SiO2. In addition, SEM-EDX results showed agglomerated spherical particles with a TiO2-SiO2 nanocomposite particle size of 40-107 nm. The best antibacterial activity was demonstrated by the 1 : 0.5 TiO2-SiO2 nanocomposite, with inactivation percentages of S. aureus and P. aeruginosa of 98.69% and 97.44%, respectively.

A novel hydrothermal synthesis of nanohydroxyapatite from eggshell-calcium-oxide precursors.

Hydroxyapatite (HA) is a material that has been widely applied to replace the damaged bone as a bone implant. Different types of HA have been successfully synthesized by a hydrothermal method based on calcium oxide (CaO) which was originated from chicken eggshells and diammonium hydrogen phosphate (DHP)/(NH4)2HPO4 as their precursors. We present a novel approach to the hydrothermal synthesis of HA form eggshells as a new precursor via a one-step synthesis method. The influence of temperature was also observed to study the effect on the crystallinity, purity, and morphology of obtained HAs. The synthesis was carried out at two different temperatures, 200 °C (HA-200) and 230 °C (HA-230) for 48 h respectively. The structures, purities, and morphologies of hydroxyapatite were analyzed by X-ray Diffraction (XRD), Fourier Transform Infra-Red (FTIR), and Scanning Electron Microscopy- Energy Dispersive Spectroscopy (SEM-EDS), and Transmission electron microscopy (TEM). The XRD patterns show the HA main phase indicated the purity of 96.5% for HA-200 and 99.5% for HA-230. The TEM micrograph suggested a hexagonal-like of HA with an average particle size of 92.61 nm. Hexagonal-like of HAs are suitable for bone implants and further application.