Browsing by Author "Akintelu SA"

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    Dataset on insightful bio-evaluation of 2-(quinoline-4-yloxy)acetamide analogues as potential anti-Mycobacterium tuberculosis catalase-peroxidase agents via in silico mechanisms
    (2021) Oyebamiji AK; Josiah OM; Akintelu SA; Adeoye MD; Sabitu BO; Latona DF; Esan AO; Soetan EA; Semire B
    The continuous havoc wrecked by tuberculosis among humans worldwide remains colossal. In this work, twenty-one (21) 2-(quinoline-4-yloxy)acetamide analogues were observed against Mycobacterium tuberculosis catalase-peroxidase (This enzyme shields bacteria from poisonous drug-like molecules) (PDB ID: 1sj2) using density functional theory method, QSAR study using material studio software and docking method via PyMol, AutoDock Tool, AutoDock Vina and Discovery studio 2017 as well as ADMET study via admetSAR2. Twelve descriptors were obtained from the optimized compounds which were used to develop valid QSAR model. More so, the binding affinity between 2-(quinoline-4-yloxy)acetamide analogues and Mycobacterium tuberculosis catalase-peroxidase (PDB ID: 1sj2) via docking method were reported. ADMET properties of some selected compounds were also examined.
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    Dataset on theoretical bio-evaluation of 1,2,4-thiadiazole-1,2,4-triazole analogues against epidermal growth factor receptor kinase down regulating human lung cancer
    (2021) Oyebamiji AK; Akintelu SA; Amao OP; Kaka MO; Morakinyo AE; Amao FA; Semire B
    Data from eight 1,2,4-thiadiazole-1,2,4-triazole derivatives were used to observe the anti-epidermal growth factor receptor kinase activities of 1,2,4-thiadiazole-1,2,4-triazole analogues thereby reducing human lung cancer. The software used to achieve this work were Spartan 14, Pymol, mgltools_win32_1.5.6, Auto dock vina and biovia2019.ds2019client. Also, the developed QSAR model was developed using the screened descriptors so as to inspect the closeness between the experimental IC50 and the predicted IC50. More so, the binding affinity from 1,2,4-thiadiazole-1,2,4-triazole derivatives - epidermal growth factor receptor kinase complexes using molecular docking approach were reported. Also, the ADMET properties for selected compounds and proposed compounds with better binding affinity were reported.
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    Green synthesis of silver nanoparticles using stem bark extract of Annona senegalensis: Characterization and its antibacterial potency
    (2021) Olabemiwo OM; Akintelu SA; Waheed AA; Okunlola DS; Akinwale DR; Adeyinka GC; Adeniji TW; Adebisi SA
    The green synthesis of nanoparticles has been a vital aspect in the search for novel antimicrobial agents. This research aimed at biosynthesis, characterization and preliminary evaluation of the antibacterial properties of silver nanoparticles (AgNPs) from the back extract of Annona senegalensisis. The bark of Annona senegalensis was scraped from the stem, washed, air-dried, pulverised and extracted. Four millilitre (4 ​ml) of the extract was pipetted into 36 ​mL (36 ​ml) of silver nitrate solution (5 ​mM AgNO3) in a conical flask. The resulting solution was subjected to magnetic stirring at room temperature (28 ​°C ​± ​2) till AgNPs were formed. The synthesized AgNPs were filtered, washed with deionized water and dried in oven at 40 ​°C. Fourier transform infrared (FTIR) analysis was carried out on the synthesized AgNPs. The AgNPs synthesized was also characterized with UV–visible spectrophotometer (UV), scanning electron microscope (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray (EDX) spectroscopy to ascertain the physico-chemical and morphological properties of the AgNPs. The antimicrobial investigation was carried out following standard method. The observation of colour change (pale yellow to dark brown) during the synthesis and maximum absorbance at wavelength 431.19 ​nm in the UV spectrum confirmed the formation of AgNPs. The FTIR analysis showed that the biomolecules responsible for the reduction of silver ion contain O–H functional groups. The electron microscopy studies indicated that the AgNPS are spherical in shape with nanoparticles sizes of 11–24.76 ​nm. EDX analysis showed that the AgNPs contain high amount of silver and few other elements. The antimicrobial study showed high zones of inhibition 22.75–33.75 against tested bacteria. The simplicity of the synthesis of AgNPs from the extract of the stem bark of Annona senegalensisis and relatively high zones of inhibitions shown by the AgNPs are strong evidences of the possible application of Annona senegalensisis in the synthesis of novel therapeutic agent against infections from bacteria and fungi.