ABSTRACT
Cancer is a primary global health concern, and researchers seek innovative approaches to combat the disease. Clinical bioinformatics and high-throughput proteomics technologies provide powerful tools to explore cancer biology. Medicinal plants are considered effective therapeutic agents, and computer-aided drug design (CAAD) is used to identify novel drug candidates from plant extracts. The tumour suppressor protein TP53 is an attractive target for drug development, given its crucial role in cancer pathogenesis. This study used a dried extract of Amomum subulatum seeds to identify phytocompounds targeting TP53 in cancer. We apply qualitative tests to determine its phytochemicals (Alkaloid, Tannin, Saponin, Phlobatinin, and Cardic glycoside), and found that alkaloid composed of 9.4% ± 0.04% and Saponin 1.9% ± 0.05% crude chemical constituent. In the results of DPPH Analysis Amomum subulatum Seeds founded antioxidant activity, and then we verified via observing methanol extract (79.82%), BHT (81.73%), and n-hexane extract (51.31%) found to be positive. For Inhibition of oxidation, we observe BHT is 90.25%, and Methanol (83.42%) has the most significant proportion of linoleic acid oxidation suppression. We used diverse bioinformatics approaches to evaluate the effect of A. subulatum seeds and their natural components on TP53. Compound-1 had the best pharmacophore match value (53.92), with others ranging from 50.75 to 53.92. Our docking result shows the top three natural compounds had the highest binding energies (-11.10 to -10.3 kcal/mol). The highest binding energies (-10.9 to -9.2 kcal/mol) compound bonded to significant sections in the target protein's active domains with TP53. Based on virtual screening, we select top phytocompounds for targets which highly fit based on pharmacophore score and observe these compounds exhibited potent antioxidant activity and inhibited cancer cell inflammation in the TP53 pathway. Molecular Dynamics (MD) simulations indicated that the ligand was bound to the protein with some significant conformational changes in the protein structure. This study provides novel insights into the development of innovative drugs for the treatment of cancer disorders.
ABSTRACT
Nanotechnology is now playing an emerging role in green synthesis in agriculture as nanoparticles (NPs) are used for various applications in plant growth and development. Copper is a plant micronutrient; the amount of copper oxide nanoparticles (CuONPs) in the soil determines whether it has positive or adverse effects. CuONPs can be used to grow corn and wheat plants by combining Bacillus subtilis. In this research, CuONPs were synthesized by precipitation method using different precursors such as sodium hydroxide (0.1 M) and copper nitrate (Cu(NO3)2) having 0.1 M concentration with a post-annealing method. The NPs were characterized through X-ray diffraction (XRD), scanning electron microscope (SEM), and ultraviolet (UV) visible spectroscopy. Bacillus subtilis is used as a potential growth promoter for microbial inoculation due to its prototrophic nature. The JAR experiment was conducted, and the growth parameter of corn (Z. mays) and wheat (Triticum aestivum) was recorded after 5 days. The lab assay evaluated the germination in JARs with and without microbial inoculation under CuONP stress at different concentrations (25 and 50 mg). The present study aimed to synthesize CuONPs and systematically investigate the particle size effects of copper (II) oxide (CuONPs) (< 50 nm) on Triticum aestivum and Z. mays. In our results, the XRD pattern of CuONPs at 500 °C calcination temperature with monoclinic phase is observed, with XRD peak intensity slightly increasing. The XRD patterns showed that the prepared CuONPs were extremely natural, crystal-like, and nano-shaped. We used Scherrer's formula to calculate the average size of the particle, indicated as 23 nm. The X-ray diffraction spectrum of synthesized materials and SEM analysis show that the particles of CuONPs were spherical in nature. The results revealed that the synthesized CuONPs combined with Bacillus subtilis used in a field study provided an excellent result, where growth parameters of Z. Mays and Triticum aestivum such as root length, shoot length, and plant biomass was improved as compared to the control group.
Subject(s)
Metal Nanoparticles , Nanoparticles , Copper/chemistry , Triticum , Bacillus subtilis , Zea mays , Oxides , Metal Nanoparticles/chemistryABSTRACT
In recent years, the number of patients undergoing liver transplant has increased. Successful transplant has resulted in better quality of life and improved fertility in younger women. This is a case study a 31-year-old woman, who had history of Budd-Chiari syndrome and underwent liver transplantation in 2014 with uneventful postoperative course. She was clinically stable on tablet tacrolimus and coumarin with no episode of allograft rejection since transplantation. The patient conceived spontaneously, after 4 years of transplant and during pregnancy, she was managed by multidisciplinary team. During the initial period, the graft and pregnancy continued without complications. However, at 33 weeks, the patient presented with sluggish fetal movements, amniotic fluid index of 3.4 and SD ratio of 3.31 for which she underwent caesarean section. She delivered a healthy female baby of 1.4 kg. This case study concludes that vigilant monitoring of fetal growth is pivotal for optimal fetal outcome.