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- ItemSynthesis, Characterization, Antibacterial and Toxicological Studies of Heteroleptic Acetylsalicylic Acid and Anthranilic Acid Metal Complexe(10.faculty of sciences and technology of the university of El Oued (Algeria), 2022-12-16) Mercy O. Bamigboye, Ikechukwu P. Ejidike, Osunniran, W. A., Juliana B. Adetunji, Joshua A. Obaleye, Catherine A. AdenipekunThis present study aims at evauating the antibacterial, analgesic, and toxicological activities of new metals [Ni(II), Cu(II), Cd(II), and Zn(II)] complexes derived from acetylsalicylic acid and anthranilic acid via refluxing method in a 1:1:1 stoichiometry ratio. Characterization was executed using melting point, molar conductance, infrared and ultraviolet-visible spectroscopies. The antibacterial activities were investigated by the agar well diffusion method. The toxicological effect of the test compounds in serum and kidney homogenates of Wister rats was investigated. The screened complexes showed better antibacterial activities than their free ligands. The result of the analysis indicated that acetylsalicylic acid possessed a good significant analgesic activity, while toxicological studies confirmed that the complexes were toxic at the level of administered dosage
- ItemIn silico studies and antimicrobial investigation of synthesised novel N-acylhydrazone derivatives of indole(2023) Emmanuel Oloruntoba Yeye, Mukaram AkintundeAdeniyi-Akee, Sikiru Akinyeye Ahmed, Sherifat Adeyinka AboabaIndole is an exceptional scaffold in the discovery and design of drugs with different mechanisms and biological activity. Numerous research has been conducted on N-acylhydrazones of indole and its derivatives, however, no account of the synthesis, molecular docking and the antimicrobial activities of the eleven synthesised compounds has never been reported. The study was therefore designed to synthesize, characterize, carry out molecular docking and determine the antimicrobial activities of novel N-acylhydrazone derivatives of indole. Aldol condensation of synthesised hydrazides with aromatic aldehydes led to the formation of the N-acylhydrazone derivatives of indole. The structure of the compounds were confirmed by proton nuclear magnetic Resonance (1H NMR) and electron impact mass spectrometry (EIMS). The N-acylhydrazones were screened against ten microbes (four fungi three Gram-positive bacteria, and three Gram-negative bacteria) at concentrations of 100 to 6.26 mg/mL, using agar well diffusion and fungi carpeted antimicrobial assays. Gentamicin (5 mg/mL) was the positive control for bacteria while tioconazole (70%) was used for fungi. The molecular docking studies was done and the docking scores recorded accordingly on four antimicrobial receptors with PDB codes (3CR7, 3FHV, 6L1L and 6SPC). The synthesised compounds displayed moderate activity against the test organisms with the zone of inhibitions range 24 ± 0.00 to 18 ± 0.70 mm at 100 mg/mL as compared to the standards (gentamicin 10 μg/mL (36 ± 1.41), tioconazole 70% (26 ± 4.24)). All synthesised N-acylhydrazone derivatives exhibited a good number of hydrophobic interactions, classical and non-classical hydrogen bonding with the docked protein enzymes. Compound 10 and 1 were predicted to exhibit highest binding energy of -9.7 and -9.2 kcal/mole respectively with the binding site of 6SPC. Other compounds were found to have higher predicted binding energies than the standard drugs. Previously, there has been no report n the synthesis of N-acylhydrazone derivatives of Indole used in this study, their molecular docking and antimicrobial analyses is being reported for the first time. Since microbial resistance poses a major threat to human health globally, this research screened the synthesised compounds on fungi and bacteria and were found to be active against the selected microbes. These compounds if ameliorated, will reduce the uncontrollable rise in the multidrug-resistant (MDR) bacteria in Africa and in the universe. Therefore, since the synthesised N-acylhydrazone derivatives have potential in inhibiting microbial growth and showed good binding parameters with the tested enzymes, they could be effectively developed into antimicrobial agents useful for treating a wide range of microbial infections. Further research should conducted on the drugability, toxicity, minimal inhibitory concentration (MIC) and minimal bactericidal concentration (MBC) of the drug compounds.
- ItemBioassay-Guided Isolation of Antiplasmodial Compounds from Hypericum lanceolatum Lam. (Hypericaceae) and Their Cytotoxicity and Molecular Docking(2023) Gervais Mouthé Happi , Sikiru Akinyeye Ahmed , Guy Paulin Mouthé Kemayou, Shina Salau, Liliane Clotilde Dzouemo, Klev Gaïtan Sikam, Mireille Towa Yimtchui, and Jean Duplex WansiIn Cameroon, malaria is still the cause of several deaths yearly and leading to the continued search for new potent leads to fight against Plasmodium falciparum. Medicinal plants like Hypericum lanceolatum Lam. are introduced in local preparations for the treatment of affected people. The bioassay-guided fractionation of the crude extract of the twigs and stem bark of H. lanceolatum Lam. led to the identification of the dichloromethane-soluble fraction as the most active (with 32.6% of the parasite P. falciparum 3D7 survival) which was further purified by successive column chromatography to obtain four compounds identified by their spectrometric data as two xanthones 1,6-dihydroxyxanthone (1) and norathyriol (2) and two triterpenes betulinic acid (3) and ursolic acid (4). In the antiplasmodial assay against P. falciparum 3D7, the triterpenoids 3 and 4 displayed the most significant potencies with IC50 values of 2:8 ± 0:8 μg/mL and 11:8 ± 3:2 μg/mL, respectively. Furthermore, both compounds were also the most cytotoxic against P388 cell lines with IC50 values of 6:8 ± 2:2 μg/mL and 2:5 ± 0:6 μg/mL, respectively. Further insights on the inhibition method of the bioactive compounds and their drug-likeness were obtained from their molecular docking and ADMET studies. The results obtained help in identifying additional antiplasmodial agents from H. lanceolatum and support its use in folk medicine for the treatment of malaria. The plant might be considered as a promising source of new antiplasmodial candidates in new drug discovery.
- ItemLIGATION OF CADMIUM(II) COMPLEX BY 2,5-DIAMINO-1,3,4-THIADIAZOLE AND THEIR BIOLOGICAL ACTIVITY(2014) Adediji, J. F., Ahmed, S. A., and Lawal, A.This study investigated the synthesis of 2,5-diamino-1,3,4-thiadiazole, physical characteristics, antibacterial properties and toxicity implication or safety of the resulting complex using albino rats as model with a view to searching for an effective antimicrobial drug. The complex of the type ML2 (where M=Cd and L= 2,5-diamino- 1,3,4-Thiadiazole) was prepared. The ligand (L) was prepared starting from the reaction of potassium thiocynate with semicarbazide hydrochloride to produce bithiourea. Cyclisation of bithiourea in a 3% Hydrogen Peroxide gave the ligand L. The formation of metal complex was carried out using the template method. The complex was a non-electrolyte in dimethylformamide (DMF). The elemental analysis, magnetic measurements, conductivity measurements and spectral studies were used to determine the physical characteristics of the ligand (L) and metal complex. The biological activities were screened by studying the in-vivo antimicrobial and toxicological activities. Overall, the metal complex was tentatively assigned an octahedral geometry based on spectral studies. The ligand coordinated with the metal ion through sulphur atom and nitrogen of the amines (N:S:N). A low value of conductivity revealed the non-electrolytic nature of the compound. The metal chelates possessed greater activities against bacterial strains used compared to the control drug and the ligand used. The study concluded that the metal complex showed mild toxicity at the orally administered dosage-level (0.6 mg/kg body weight) on albino rat (Wistar strain).
- ItemDetermination of Excited State Electric Dipole Moments and Polarizabilities of positional Isomeric Nitroaniline using Modified Abe Solvatochromic Model and Quantum Chemical Calculations(2021) Sikiru Akinyeye AhmedThe dipole moments and polarizabilities in various excited states of o-, m- and p-nitroanilines were estimated using Linder’s variant of Abe solvatochromic model. The ground and excited state dipole moments of these molecules were computed from experimental and theoretical studies using solvatochromic technique and Density Functional Theory (DFT) respectively. The trend observed for the various excited states dipole moments of the o-, m- and p- isomers of nitroaniline follow the order ortho>meta>para. The excited state polarizabilities obtained for the electronic transitions in each of the compounds are reflective of the oscillator strength f values for these transitions. Also, the excited singlet-state dipole moments obtained were higher than the calculated ground state dipole moments which shows that the excited singlet state is more polar than the ground state for all the compounds studied. The effects of solvent manifest in form of enhancement to the electronic intensities. The results of the present analysis show internal consistency and agree reasonably with Abe’s theory.