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1.
Front Chem ; 11: 1244266, 2023.
Article in English | MEDLINE | ID: mdl-37614706

ABSTRACT

The investigation involved examining the binding of two lanthanide complexes, specifically those containing Holmium (Ho) and Dysprosium (Dy), with a ligand called 1, 10-phenanthroline (phen), and bovine serum albumin (BSA). The evaluation was carried out utilizing fluorescence measurements, Förster theory, and docking studies. The findings indicated that both the Ho-complex and Dy-complex possessed a significant ability to quench the emission of the protein. Furthermore, the primary mechanism of interaction was identified as a static process. The Kb values indicate a strong tendency of these complexes for binding with BSA. The Kb values show the strangely high affinity of BSA to complexes and the following order for binding affinity: Ho-complex > Dy-complex. The thermodynamic parameters were found to be negative, affirming that the main forces driving the interaction between BSA and the lanthanide complexes are van der Waals engagement and hydrogen bonds. Additionally, the investigation included the examination of competition site markers, and molecular docking proposed that the engagement sites of the Ho-complex and Dy-complex with BSA were predominantly located in site 3 (specifically, subdomain IB). Moreover, the Ho-complex and Dy-complex were specifically chosen for their potential anticancer and antimicrobial properties. Consequently, these complexes could present promising prospects as novel candidates for anti-tumor and antibacterial applications.

2.
J Biotechnol ; 359: 142-147, 2022 Nov 20.
Article in English | MEDLINE | ID: mdl-36206852

ABSTRACT

By applying periodic DFT computations, the possible employment of BC3 nanotube (BC3NT) as a drug delivery system (DDS) for Thiotepa (TPA) anticancer medicine has been examined. Quantum mechanics computations by the B3LYP-6-31 +G(d,p) method with dispersion correction including to be used for calculation the details of electronic, geometric, and energetic features of the interactions between TPA drug and BC3NT. The appropriate orientation for the TPA interacting with BC3NT has been assessed and adsorption energies (ΔEad) have been computed. The band distance of S and B atom in complex C2 is about 1.89 Å, also the value of ΔEad of - 29.83 kcal/mol in most stable compounds. By applying frontier molecular orbital analysis, it has been assessed that during stimulation, TPA medicine performs as HOMO and delivers the charge towards the LUMO, i.e., BC3NT. In the aqueous phase, the λmax of BC3NT-AP complex is blue-shifted by 36 nm. Drug delivery to the specific cells after protonation has been studied, due to the point that cancer cells have lower pH than others. The value of computed solvation energy (ΔEsolvation) shows the solubility BC3NT@TPA system in the water phase. The effects of the present investigation verified the ability of BC3NT as a drug delivery agent for TPA in the treatment of cancer.


Subject(s)
Antineoplastic Agents , Nanotubes , Adsorption , Thiotepa , Antineoplastic Agents/chemistry , Nanotubes/chemistry , Water
3.
Article in Chinese | WPRIM (Western Pacific) | ID: wpr-950813

ABSTRACT

Objective: To highlight the presence of aerobic bacteria in live ticks infested sheep, in Diyala Governorate, Iraq. Methods: One hundred and thirty adult alive ticks were picked up from sheep which were reared in different farms in Diyala Governorate, Iraq, during the period from November 2012 to May 2013. Ticks were classified in the Natural History Museum in Baghdad. They were dissected aseptically for extraction of the salivary gland and mid-gut. The removed tissue from each organ was inoculated in buffer peptone water (1%) and incubated for 2 h at 37 °C, to maintain weak and/or injured bacterial cells, then transmitted to nutrient broth incubated at 37 °C for 18 h. Culturing was done on three solid bacteriological media (nutrient, blood and McConkey agars), and then incubated at 37 °C for 24 h. Bacterial identification was performed by using multiple biochemical tests and API-20 strips. Data were analyzed by using Statistical Analysis System version 9.1, 2010. Chi-square test was used for comparison at significant level of P ≤ 0.05. Results: Two species of ticks were identified [Rhipicephalus (Boophilus) annulatus and Hyalomma turanicum]. High bacterial isolation rate was observed (483 isolates). A significant high isolation rate was recorded from Rhipicephalus annulatus (63.14%). Six bacterial species were identified [Escherichia coli (28.36%), Pseudomonas aeruginosa (18.01%), Bacillus cereus (14.69%), Staphylococcus aureus (13.66%), Citrobacter freundii (13.04%), and Enterobacter species (12.21%)]. Also the high bacterial isolation rates were recorded in the temperate months (November, March and April); these coincided with high reproductive performance of ticks. Conclusions: The high isolation rate of aerobic pathogens from ticks might reflect the active contribution of this arthropod in environmental contamination and increase the probability of transmitting bacterial pathogens to their hosts.

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