Investigating the potential of 6-substituted 3-formyl chromone derivatives as anti-diabetic agents using in silico methods.

In exploring nature's potential in addressing diabetes-related conditions, this study investigates the therapeutic capabilities of 3-formyl chromone derivatives. Utilizing in silico methodologies, we focus on 6-substituted 3-formyl chromone derivatives (1-16) to assess their therapeutic potential in treating diabetes. The research examined the formyl group at the chromone's C-3 position. ADMET, biological activities, were conducted along with B3LYP calculations using 3 different basis sets. The analogues were analyzed based on their parent structure obtained from PubChem. The HOMO-LUMO gap confirmed the bioactive nature of the derivatives, NBO analysis was performed to understand the charge transfer. PASS prediction revealed that 3-formyl chromone derivatives are potent aldehyde oxidase inhibitors, insulin inhibitors, HIF1A expression inhibitors, and histidine kinase. Molecular docking studies indicated that the compounds had a strong binding affinity with proteins, including CAD, BHK, IDE, HIF-α, p53, COX, and Mpro of SARS-CoV2. 6-isopropyl-3-formyl chromone (4) displayed the highest affinity for IDE, with a binding energy of - 8.5 kcal mol-1. This result outperformed the affinity of the reference standard dapagliflozin (- 7.9 kcal mol-1) as well as two other compounds that target human IDE, namely vitexin (- 8.3 kcal mol-1) and myricetin (- 8.4 kcal mol-1). MD simulations were revealed RMSD value between 0.2 and 0.5 nm, indicating the strength of the protein-ligand complex at the active site.

Quartz Tuning Fork Sensor-Based Dosimetry for Sensitive Detection of Gamma Radiation.

This study generally relates to nuclear sensors and specifically to detecting nuclear and electromagnetic radiation using an ultrasensitive quartz tuning fork (QTF) sensor. We aim to detect low doses of gamma radiation with fast response time using QTF. Three different types of QTFs (uncoated and gold coated) were used in this study in order to investigate their sensitivity to gamma radiations. Our results show that a thick gold coating on QTF can enhance the quality factor and increase the resonance frequency from 32.7 to 32.9 kHz as compared to uncoated QTF. The results also show that increasing the surface area of the gold coating on the QTF can significantly enhance the sensitivity of the QTF to radiation. We investigated the properties of gold-coated and uncoated QTFs before and after irradiation by scanning electron microscopy. We further investigated the optical properties of SiO2 wafers (quartz) by spectroscopic ellipsometry (SE). The SE studies revealed that even a small change in the microstructure of the material caused by gamma radiation would have an impact on mechanical properties of QTF, resulting in a shift in resonance frequency. Overall, the results of the experiments demonstrated the feasibility of using QTF sensors as an easy to use, low-cost, and sensitive radiation detector.