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<p>A series of novel polyhydroxy-conjugated pyrrolidine derivatives was designed, synthesized, and evaluated for antiglycation, antioxidant, and α-glucosidase potential to mitigate hyperglycemia-associated complications. Structural elucidation of the synthesized analogues was performed using spectroscopic techniques, and in vitro biological potential was assessed using UV-visible spectroscopy assays. Among the synthesized derivatives, compound <b>4a</b> emerged as the potent candidate, significantly reducing the formation of advanced glycation end products (AGEs), by significant inhibition of fructosamine (IC<sub>50</sub> = 216.29 ± 7.06 µM), protein carbonyls formation (IC<sub>50</sub> = 155.13 ± 1.40 µM), thiol oxidation (IC<sub>50</sub> = 93.50 ± 7.12 µM), and Congo red binding (IC<sub>50</sub> = 156.52 ± 1.13 µM), outperforming the standard drug (Rutin). Furthermore, compound <b>4a</b> also demonstrated superior α-glucosidase inhibition (IC<sub>50</sub> = 137.67 ± 16.88 µM) compared to rutin (IC<sub>50</sub> = 274.96 ± 0.80 µM). Additionally, Compounds <b>4a</b>, <b>4b</b>, and <b>4f</b> exhibited superior free-radical scavenging activity, underscoring their potential to reduce reactive oxygen species associated with glycation. Molecular docking simulations against the α-glucosidase (PDB ID: 3A4A) revealed that strong binding affinity mediated by extensive hydrogen bonding with key amino acid residues, including Asp69, Glu277, Asp352, Arg442, and Gln29. Overall, these finding highlights polyhydroxy-conjugated pyrrolidine derivatives as promising antiglycation scaffolds for the development of therapeutic targeting glycation and postprandial hyperglycemia.</p> Graphical abstract <p></p>

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Molecular docking, synthesis, and antiglycation activity of novel polyhydroxy-containing pyrrolidine derivatives

  • 期刊论文

  • 发表日期：

    2026年2月27日

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  • Anju Daharia,
  • Alok Singh Thakur,
  • Lokkanya Dewangan

摘要

A series of novel polyhydroxy-conjugated pyrrolidine derivatives was designed, synthesized, and evaluated for antiglycation, antioxidant, and α-glucosidase potential to mitigate hyperglycemia-associated complications. Structural elucidation of the synthesized analogues was performed using spectroscopic techniques, and in vitro biological potential was assessed using UV-visible spectroscopy assays. Among the synthesized derivatives, compound 4a emerged as the potent candidate, significantly reducing the formation of advanced glycation end products (AGEs), by significant inhibition of fructosamine (IC50 = 216.29 ± 7.06 µM), protein carbonyls formation (IC50 = 155.13 ± 1.40 µM), thiol oxidation (IC50 = 93.50 ± 7.12 µM), and Congo red binding (IC50 = 156.52 ± 1.13 µM), outperforming the standard drug (Rutin). Furthermore, compound 4a also demonstrated superior α-glucosidase inhibition (IC50 = 137.67 ± 16.88 µM) compared to rutin (IC50 = 274.96 ± 0.80 µM). Additionally, Compounds 4a, 4b, and 4f exhibited superior free-radical scavenging activity, underscoring their potential to reduce reactive oxygen species associated with glycation. Molecular docking simulations against the α-glucosidase (PDB ID: 3A4A) revealed that strong binding affinity mediated by extensive hydrogen bonding with key amino acid residues, including Asp69, Glu277, Asp352, Arg442, and Gln29. Overall, these finding highlights polyhydroxy-conjugated pyrrolidine derivatives as promising antiglycation scaffolds for the development of therapeutic targeting glycation and postprandial hyperglycemia.

Graphical abstract