Electrophoretically deposited Asphaltum punjabianum (Shilajit) coatings on polyvinylalcohol/carboxymethylcellulose hydrogels.

The present study aims to develop Asphaltum punjabianum (namely Shilajit) coated Polyvinyl alcohol (PVA)/Carboxymethyl cellulose (CMC) hydrogels and examine their structural, morphological, degradation, and biological properties. Hydrogels were produced at two different concentrations: 70:30 PVA/CMC and 90:10 PVA/CMC. Following that, Shilajit was applied to the synthesized hydrogels using electrophoretic deposition for a duration of 3 min at 30 V. The scanning electron microscopy images showed that the hydrogel's surface had a regular distribution of irregular Shilajit particles. Fourier transform infrared spectroscopy (FTIR) analysis demonstrated the presence of hydrogen bonding between PVA and CMC hydrogels and Shilajit, indicating the successful deposition of Shilajit on the hydrogel. The hydrogels coated with Shilajit exhibited strong antimicrobial activity, resulting in an inhibition zone measuring 34 mm against Escherichia coli (E. coli) and 41 mm against Staphylococcus aureus (S. aureus). The hydrogels exhibited a cell viability of 80 % with mesenchymal stem cells (MSCs), and the release of collagen II also increased. Furthermore, the PVA/CMC/Shilajit hydrogel exhibited a lower degradation rate compared to the PVA/CMC hydrogel. The results of the swelling, degradation, and drug release studies indicate that the shilajit coating is appropriate for the long-term process of tissue and cartilage regeneration.

Efficient sorption of As(III) from water by magnetite decorated porous carbon extracted from a biowaste material.

Arsenic is a highly toxic metal that causes cancer even at a low concentration and its removal from water resources is challenging. Herein, carbon extracted from waste onion bulbs is activated to cater for porosity and functionalized with magnetite (Fe3O4) nanoparticles (named MCK6) to address the challenge of As(III) removal. Synthesized MCK6 was highly mesoporous having a surface area of 208 m2/g, where magnetite nanoparticles (≤ 10 nm) are homogeneously distributed within a porous network. The developed adsorbent inherited functional groups from the biosource and magnetic property from magnetite making it ideal for removal of As(III). Further, MCK6 showed a maximum monolayer adsorption capacity (qm) of 10.2 mg/g at 298 K and pH 7. The adsorption thermodynamics delineates a non-spontaneous and endothermic reaction, where the kinetics followed pseudo 2nd order (R2 value of 0.977), while monolayer formation is explained by the Langmuir model. Moreover, MCK6 efficiently works to remove As(III) in a competitive metal ions system including Pb+2, Cd+2, and Ca+2, making it a suitable adsorbent to tackle contaminated water.

Investigation of novel bis-thiadiazole bearing schiff base derivatives as effective inhibitors of thymidine phosphorylase: Synthesis, in vitro bioactivity and molecular docking study.

Thymidine phosphorylase (TP) is an angiogenic enzyme. It is crucial for the development, invasion and metastasis of tumors as well as angiogenesis. In our current research, we examine how structurally changing bis-thiadiazole bearing bis-schiff bases affects their ability to inhibit TP. Through the oxidative cyclization of pyridine-based bis-thiosemicarbazone with iodine, a series of fourteen analogs of bis-thiadiazole-based bis-imines with pyridine moiety were developed. Newly synthesized scaffolds were assessed in vitro for their thymidine phosphorylase inhibitory potential and showed moderate to good inhibition profile. Eleven scaffolds such as 4a-4d,4f-4 h and 4j-4 m were discovered to be more effective than standard drug at inhibiting the thymidine phosphorylase enzyme with IC50 values of 1.16 ± 1.20, 1.77 ± 1.10, 2.48 ± 1.30, 12.54 ± 1.60, 14.63 ± 1.70, 15.53 ± 1.80, 17.47 ± 1.70, 18.98 ± 1.70, 19.53 ± 1.50, 22.73 ± 2.40 and 24.87 ± 2.80 respectively, while remaining three analogs such as 4n, 4i and 4ewere found to be more potent, but they were less potent than the standard drug. All analogs underwent SAR studies based on the pattern of substitutions around the aryl part of the bis-thiadiazole skeleton. The most active analogs in the synthesized series were then molecular docking study performed to investigate their interactions of active part of enzyme. The results showed that remarkable interactions were exhibited by these analogs with the targeted enzymes active sites. Furthermore, to confirm the structure of synthesized analogs by employing spectroscopic tools such as HREI-MS and NMR.

Molecular Modeling and Synthesis of Indoline-2,3-dione-Based Benzene Sulfonamide Derivatives and Their Inhibitory Activity against α-Glucosidase and α-Amylase Enzymes.

Diabetes is also known as a critical and noisy disease. Hyperglycemia, that is, increased blood glucose level is a common effect of uncontrolled diabetes, and over a period of time can cause serious effects on health such as blood vessel damage and nervous system damage. However, many attempts have been made to find suitable and beneficial solutions to overcome diabetes. Considering this fact, we synthesized a novel series of indoline-2,3-dione-based benzene sulfonamide derivatives and evaluated them against α-glucosidase and α-amylase enzymes. Out of the synthesized sixteen compounds (1-16), only three compounds showed better results; the IC50 value was in the range of 12.70 ± 0.20 to 0.90 ± 0.10 µM for α-glucosidase against acarbose 11.50 ± 0.30 µM and 14.90 ± 0.20 to 1.10 ± 0.10 µM for α-amylase against acarbose 12.20 ± 0.30 µM. Among the series, only three compounds showed better inhibitory potential such as analogues 11 (0.90 ± 0.10 µM for α-glucosidase and 1.10 ± 0.10 µM for α-amylase), 1 (1.10 ± 0.10 µM for α-glucosidase and 1.30 ± 0.10 µM for α-amylase), and 6 (1.20 ± 0.10 µM for α-glucosidase and 1.60 ± 0.10 µM for α-amylase). Molecular modeling was performed to determine the binding affinity of active interacting residues against these enzymes, and it was found that benzenesulfonohydrazide derivatives can be indexed as suitable inhibitors for diabetes mellitus.

Synthesis, DFT Studies, Molecular Docking and Biological Activity Evaluation of Thiazole-Sulfonamide Derivatives as Potent Alzheimer's Inhibitors.

Alzheimer's disease is a major public brain condition that has resulted in many deaths, as revealed by the World Health Organization (WHO). Conventional Alzheimer's treatments such as chemotherapy, surgery, and radiotherapy are not very effective and are usually associated with several adverse effects. Therefore, it is necessary to find a new therapeutic approach that completely treats Alzheimer's disease without many side effects. In this research project, we report the synthesis and biological activities of some new thiazole-bearing sulfonamide analogs (1-21) as potent anti-Alzheimer's agents. Suitable characterization techniques were employed, and the density functional theory (DFT) computational approach, as well as in-silico molecular modeling, has been employed to assess the electronic properties and anti-Alzheimer's potency of the analogs. All analogs exhibited a varied degree of inhibitory potential, but analog 1 was found to have excellent potency (IC50 = 0.10 ± 0.05 µM for AChE) and (IC50 = 0.20 ± 0.050 µM for BuChE) as compared to the reference drug donepezil (IC50 = 2.16 ± 0.12 µM and 4.5 ± 0.11 µM). The structure-activity relationship was established, and it mainly depends upon the nature, position, number, and electron-donating/-withdrawing effects of the substituent/s on the phenyl rings.

Synthesis, In Vitro Anti-Microbial Analysis and Molecular Docking Study of Aliphatic Hydrazide-Based Benzene Sulphonamide Derivatives as Potent Inhibitors of α-Glucosidase and Urease.

A unique series of sulphonamide derivatives was attempted to be synthesized in this study using a new and effective method. All of the synthesized compounds were verified using several spectroscopic methods, including FTIR, 1H-NMR, 13C-NMR, and HREI-MS, and their binding interactions were studied using molecular docking. The enzymes urease and α-glucosidase were evaluated against each derivative (1-15). When compared to their respective standard drug such as acarbose and thiourea, almost all compounds were shown to have excellent activity. Among the screened series, analogs 5 (IC50 = 3.20 ± 0.40 and 2.10 ± 0.10 µM) and 6 (IC50 = 2.50 ± 0.40 and 5.30 ± 0.20 µM), emerged as potent molecules when compared to the standard drugs acarbose (IC50 = 8.24 ± 0.08 µM) and urease (IC50 = 7.80 ± 0.30). Moreover, an anti-microbial study also demonstrated that analogs 5 and 6 were found with minimum inhibitory concentrations (MICs) in the presence of standard drugs streptomycin and terinafine.