Research Articles (Chemistry)

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Browsing by Author "Abbo, Hanna"

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    Asymmetrical curcumin derivative: synthesis, structural exploration, hirshfeld surface analysis, and computational study
    (Springer, 2025) Titinchi, Salam; Abbo, Hanna; Ashfaq, Muhammad
    Curcumin derivatives are bioactive compounds with a linear structure and an α,β-unsaturated β-diketone moiety. the chemical reaction of 3-hydroxy-4-methoxybenzaldehyde and cinnamaldehyde in dmf in the presence of acetylacetone and boric oxide mixture resulted in the synthesis of a curcumin derivative named as (1e,4z,6e,8e)-5-hydroxy-1-(4-hydroxy-3- methoxyphenyl)-9-phenylnona-1,4,6,8-tetraen-3-one (hpto). the compound was characterized by ft-ir, ms, 1h-, and 13c-nmr. moreover, crystal structure was determined by single crystal xrd analysis, which displayed the presence of a solvent molecule along with the main molecule (hpto). the geometry of the main molecule was stabilized by intramolecular o–h···o bonding. the molecule adopted a non-planar conformation with a dihedral angle between phenyl rings of 35.1 (1)°. the supramolecular assembly was stabilized by numerous intermolecular interactions that were explored by hirshfeld surface analysis. interaction energy calculations were carried out at b3lyp/6-31 g(d,p) electron density level to support the experimental fndings. void analysis was performed in order to predict the response of the crystal to the applied stress. the compound was studied using the dft method, employing the 6-311 g(d,p) basis set, to evaluate its electronic and quantum chemical properties. frontier molecular orbitals and density of states analyses revealed an energy gap of 3.08 ev. this fnding indicates the compound’s signifcant chemical reactivity and potential for notable biological activity. molecular docking studies were performed to evaluate the compound’s potential as a cancer treatment medication candidate. by employing a multidisciplinary methodology, this research provides a thorough understanding of the compound’s structural features, chemical properties, and prospective pharmaceutical applications, paving the way for its development in cancer treatment.
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    Polyethylene glycol (peg-400): An efficient one-pot green synthesis and anti-viral activity of novel α-diaminophosphonates
    (Taylor & Francis Online, 2019) Abbo, Hanna; Patnala, Harika; Potla, Krishna Murthy
    An efficient and eco-friendly protocol has been accomplished for a series of novel a-diaminophosphonates by a one-pot, three-component system via Kabachnik-Fields reaction of 4,40 -methylenedianiline, a variety of aryl/heteroaryl aldehydes and diphenylphosphite employing polyethylene glycol (PEG-400) as a green solvent at 80 C. All products were obtained in good to excellent yields (80–95%).
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    Synthesis, in silico and antimicrobial activity study of substituted aromatic imines and their corresponding amines
    (Elsevier B.V., 2025) Abbo, Hanna; Holman, Darin Edward; Hendricks, Mohamed-Deen; Salubi, Christiana Abimbola; Keyster, Marshall; Titinchi, Salam
    The antimicrobial properties of Schiff bases and their corresponding amines were assessed by exploring the impact of substituent variations on these activities. The present study involved the synthesis of Schiff base compounds and their corresponding sec-amines, characterization, antibacterial testing, and molecular docking studies. These compounds featured diverse structural components, including alkyl chains, phenyl and methoxy groups. Three of the synthesized compounds are new, viz. N-[(2,3-dimethoxyphenyl) methylene]-1-propanamine (1), N-[(2,3-dimethoxyphenyl)methyl]-1-propanamine (2) and N-[(2,3-dimethoxyphenyl)methylene]-1-butanamine (3). The assessment of antibacterial properties targeted two strains recognized as opportunistic pathogens. Notably, all Schiff base compounds possessing the −C=N moiety exhibited good antibacterial activity against P. aeruginosa and P. agglomerans. Specifically, 1 and 3 demonstrated exceptional effectiveness against the tested bacterial strains, showcasing promising antibacterial capabilities. Furthermore, binding energy calculations revealed that compounds 1 and 3 exhibited binding energies of −3.9, −4.1, and −3.8, −3.9 kcal/mol with respect to P. agglomerans and P. aeruginosa candidate proteins, respectively. This underscores the strong interaction between the synthesized compounds and the bacterial strains, further supporting their potential as potent antimicrobial agents. P. aeruginosa and P. agglomerans were found to be sensitive to both compounds 1 and 3, as well as the standard control ampicillin. The MIC values for P. aeruginosa were 10 mM for 1, and 6 mM for 3. While for P. agglomerans, the MIC values were 6 mM for both 1 and 3.