Current organic synthesis · 2026
L-Arginine Schiff Bases for Diabetic Wound Healing via Nitric Oxide Synthase Inhibition: Synthesis, In Vitro Activity, and In Silico Insights.
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Malik Manisha, Goel Radha, Ansari Mohd Nazam, Madkhali Hassan A, Gaur Praveen, Mishra Rosaline
Аннотация
INTRODUCTION: Diabetes mellitus (DM) is a chronic metabolic disorder characterized by impaired wound healing. The goal of this study was to create and assess Schiff base derivatives (SB) of L-arginine and aromatic aldehydes as possible inhibitors of nitric oxide synthase (NOS).
MATERIALS AND METHODS: Synthesis of SB derivatives was followed by ADMET analysis and molecular docking against the NOS protein (PDB ID: 4NOS, 2.25 Å resolution) obtained from the RCSB Protein Data Bank. Structure-activity correlations were established, and NOS inhibitory activity was evaluated in vitro.
RESULT: FTIR and 1H NMR spectroscopy were used to characterize the five most promising derivatives (CM7, CM8, CM9, CM11, and CM14), which were produced utilizing L-arginine and aromatic natural aldehydes in ethanol/methanol solvents. High binding affinities for CM8 (-9.0 kcal/mol), CM9 (-8.8 kcal/mol), and CM11 (-9.1 kcal/mol) were found via molecular docking.
DISCUSSION: The compounds met all pharmacokinetic ADME and toxicity criteria and demonstrated NOS inhibitory action on par with the standard. In order to improve wound healing in diabetics, this study presents L-arginine Schiff base derivatives, a novel class of NOS inhibitors.
CONCLUSION: This research introduces L-Arginine Schiff base (SB) derivatives as a potential class of Nitrous oxide inhibitors that have remained elusive until now.
MATERIALS AND METHODS: Synthesis of SB derivatives was followed by ADMET analysis and molecular docking against the NOS protein (PDB ID: 4NOS, 2.25 Å resolution) obtained from the RCSB Protein Data Bank. Structure-activity correlations were established, and NOS inhibitory activity was evaluated in vitro.
RESULT: FTIR and 1H NMR spectroscopy were used to characterize the five most promising derivatives (CM7, CM8, CM9, CM11, and CM14), which were produced utilizing L-arginine and aromatic natural aldehydes in ethanol/methanol solvents. High binding affinities for CM8 (-9.0 kcal/mol), CM9 (-8.8 kcal/mol), and CM11 (-9.1 kcal/mol) were found via molecular docking.
DISCUSSION: The compounds met all pharmacokinetic ADME and toxicity criteria and demonstrated NOS inhibitory action on par with the standard. In order to improve wound healing in diabetics, this study presents L-arginine Schiff base derivatives, a novel class of NOS inhibitors.
CONCLUSION: This research introduces L-Arginine Schiff base (SB) derivatives as a potential class of Nitrous oxide inhibitors that have remained elusive until now.