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Volume 21, Issue 1
  • ISSN: 1573-4099
  • E-ISSN: 1875-6697

Abstract

Background

is a traditional medicinal herb renowned for its anti-inflammatory, antioxidant, and immune-enhancing properties. In the realm of neurodegenerative diseases (NDDS), CLASP proteins, responsible for regulating microtubule dynamics in neurons, have emerged as critical players. Dysregulation of CLASP proteins is associated with NDDS, such as Alzheimer's, Parkinson's, and Huntington's diseases. Consequently, comprehending the role of CLASP proteins in NDDS holds promise for the development of innovative therapeutic interventions.

Objectives

The objectives of the research were to identify phytoconstituents in the hydroalcoholic extract of (HEUT), to evaluate its antioxidant potential through free radical scavenging assays and to explore its potential interaction with CLASP using molecular docking studies.

Methods

HPLC and LC-MS techniques were used to identify and quantify phytochemicals in HEUT. The antioxidant potential was assessed through DPPH, ferric reducing antioxidant power (FRAP), nitric oxide (NO) and superoxide (SO) free radical scavenging methods. Interactions between conventional quinovic acid, chlorogenic acid, epicatechin, corynoxeine, rhynchophylline and syringic acid and CLASP were studied through molecular docking using Auto Dock 4.2.

Results

The HEUT extract demonstrated the highest concentration of quinovic acid derivatives. HEUT exhibited strong free radical-scavenging activity with IC values of 0.113 µg/ml (DPPH) and 9.51 µM (FRAP). It also suppressed NO production by 47.1 ± 0.37% at 40 µg/ml and inhibited 77.3 ± 0.69% of SO generation. Additionally, molecular docking revealed the potential interaction of quinovic acid with CLASP for NDDS.

Conclusion

The strong antioxidant potential of HEUT and the interaction of quinovic acid with CLASP protein suggest a promising role in treating NDDS linked to CLASP protein dysregulation.

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2025-02-17

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/content/journals/cad/10.2174/0115734099284849231212095407
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Comprehensive In Silico Analysis of Uncaria Tomentosa Extract: Chemical Profiling, Antioxidant Assessment, and CLASP Protein Interaction for Drug Design in Neurodegenerative Diseases
Curr. Computeraided Drug Des. 21, 94 (2025); https://doi.org/10.2174/0115734099284849231212095407
/content/journals/cad/10.2174/0115734099284849231212095407
/content/journals/cad/10.2174/0115734099284849231212095407
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  • Article Type:     Research Article
Keyword(s): anti-oxidant; CLASP; in-silico molecular docking; neurodegenerative diseases; quinovic acid; Uncaria tomentosa (UT)

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