The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)

Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard

doi:10.1039/d3ra01741a

Cited by 6 publications

(1 citation statement)

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“…Molecular docking is a computational tool described to enhance compound‐protein binding interactions, a mimic of drug‐target interactions with applications in drug design and the pharmaceutical industry [64–67] . A preliminary step to molecular docking is energy minimization, and the minimization energies of all compounds considered in this study with other molecular parameters are presented in Table 6.…”

Section: Computational Results and Discussionmentioning

confidence: 99%

Synthesis and Therapeutic Potential of selected Schiff Bases: In vitro Antibacterial, Antioxidant, Antidiabetic, and Computational Studies

Adeleke,

Oladipo,

Luckay

et al. 2024

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In this study, three Schiff base compounds, (E)‐N‐(4‐bromophenyl)‐1‐(2‐nitrophenyl)methanimine (L1), (E)‐2‐((mesitylimino)methyl)phenol (L2), and (E)‐N‐(4‐bromophenyl)‐1‐(pyridin‐2‐yl)methanimine (L3), were synthesized and characterized by various spectroscopic techniques. The antibacterial activity of the compounds was evaluated against Gram‐positive and Gram‐negative bacteria, with L3 demonstrating the most significant activity. The compounds were also evaluated for their antioxidant activity using DPPH, FRAP, and NO scavenging assays. While the compounds exhibited concentration‐dependent scavenging of free radicals, their activity was not as significant as that of the reference, Trolox. Furthermore, L1–L3 were tested for their α‐amylase and α‐glucosidase inhibitory activity, with L1 showing the highest inhibitory activity among the three compounds. The DFT study showed that L1 is the most chemically reactive among the three compounds, having the lowest energy band gap value of 3.82 eV in acetonitrile, the experimental solvent. Molecular docking predicted that L1 and L2 have very strong inhibition equivalents to the standard drugs against bacteria and diabetes. All the compounds showed stronger inhibition against α‐glucosidase than acarbose, while only L1 and L2 exhibited stronger inhibition against α‐amylase than acarbose. It can be deduced that the theoretical studies corroborate well with the experimental, and compounds with the electron‐withdrawing group displayed better medicinal properties than their electron‐donating counterparts.

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Section: Computational Results and Discussionmentioning

confidence: 99%

Synthesis and Therapeutic Potential of selected Schiff Bases: In vitro Antibacterial, Antioxidant, Antidiabetic, and Computational Studies

Adeleke,

Oladipo,

Luckay

et al. 2024

ChemistrySelect

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DNA/BSA binding studies and in vitro anticancer and antibacterial studies of isoelectronic Cu(I)- and Ag(I)-pyridinyl Schiff base complexes incorporating triphenylphosphine as co-ligands

Adeleke,

Oladipo,

Zamisa

et al. 2023

Inorganica Chimica Acta

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Isomorphic relationship between three solvates of a ferrocenyl-based chromenopyrimidine

Zamisa,

Omondi

2023

Journal of Molecular Structure

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The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)

Abstract: In this study, we synthesized and characterized ten chromenopyrimidine derivatives using analytical and spectroscopic methods.

Cited by 6 publications

References 76 publications

Synthesis and Therapeutic Potential of selected Schiff Bases: In vitro Antibacterial, Antioxidant, Antidiabetic, and Computational Studies

Synthesis and Therapeutic Potential of selected Schiff Bases: In vitro Antibacterial, Antioxidant, Antidiabetic, and Computational Studies

DNA/BSA binding studies and in vitro anticancer and antibacterial studies of isoelectronic Cu(I)- and Ag(I)-pyridinyl Schiff base complexes incorporating triphenylphosphine as co-ligands

Isomorphic relationship between three solvates of a ferrocenyl-based chromenopyrimidine

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