In vitro α-glucosidase and α-amylase inhibitory potential and molecular docking studies of benzohydrazide based imines and thiazolidine-4-one derivatives

2021 ◽  
pp. 132058
Author(s):  
Hayat Ullah ◽  
Imad Uddin ◽  
Fazal Rahim ◽  
Fahad Khan ◽  
Sobia ◽  
...  
2017 ◽  
Vol 139 ◽  
pp. 849-864 ◽  
Author(s):  
Bilquees Bano ◽  
Arshia ◽  
Khalid Mohammed Khan ◽  
Kanwal ◽  
Bibi Fatima ◽  
...  

2019 ◽  
Vol 4 (20) ◽  
pp. 6181-6189 ◽  
Author(s):  
Nimra Naveed Shaikh ◽  
Shazia Iqbal ◽  
Naima Syed ◽  
Maria A. Khan ◽  
Syed Tarique Moin ◽  
...  

Author(s):  
Babatunde Joseph Oso ◽  
Ige Francis Olaoye

Abstract Background This study assessed the antiglycaemic properties of the methanolic extracts of the dried leaf of Cassia alata L. through in vitro and in silico approaches. The methanolic crude extract (MCE) of the dried leaf was prepared and partitioned into n-butanol (BPE) and aqueous (ARE) extracts. The antiglycaemic potential was assessed in vitro by studying the inhibitory actions of the extracts with α-amylase, α-glucosidase, and sucrase. The antiglycation capacity of the extracts was evaluated through the inhibition of albumin glycation, thiol oxidation, and β-fibril formation. Previously identified compounds (emodin, quercetin, chrysoeriol, and kaempferol) were docked with α-amylase (1HNY), α-glucosidase (5ZCB), and sucrase-isomaltase (3LPO) using the Pyrex Virtual Screening tool. Results The results revealed that MCE had the highest inhibitory potential with the lowest IC50 values of 69.67 ± 0.88, 65.54 ± 0.34, and 48.35 ± 1.45 μg/mL for α-amylase, α-glucosidase, and sucrase inhibitions, respectively. The molecular docking studies showed that quercetin and kaempferol had the best docking scores with 1HNY while emodin and chrysoeriol had the best scores towards 5ZCB and 3LPO. MCE and BPE significantly (p < 0.05) inhibited glucose-induced albumin glycation and modification. Conclusion This study suggested that the extract of the leaf of C. alata could contain a mix of different phytochemicals that could be beneficial in reducing the absorption of glucose and preventing diabetes-induced complications.


2015 ◽  
Vol 62 ◽  
pp. 15-21 ◽  
Author(s):  
Fazal Rahim ◽  
Hayat Ullah ◽  
Muhammad Tariq Javid ◽  
Abdul Wadood ◽  
Muhammad Taha ◽  
...  

Author(s):  
Nadia Ali Ahmed Elkanzi ◽  
Hajer Hrichi ◽  
Rania B. Bakr

Background: The 1,4-naphthoquinone ring has attracted prominent interest in the field of medicinal chemistry due to its potent pharmacological activity as antioxidant, antibacterial, antifungal, and anticancer. Objective: Herein, a series of new Schiff bases (4-6) and chalcones (8a-c & 9a-d) bearing 1,4-naphthoquinone moiety were synthesized in good yields and were subjected to in-vitro antimicrobial, antioxidant, and molecular docking testing. Methods: A facile protocol has been described in this study for the synthesis of new derivatives (4-7, 8a-c, and 9a-d) bearing 1,4-naphthoquinone moiety. The chemical structures of all the synthesized compounds were identified by 1H-NMR, 13C-NMR, MS, and elemental analyses. Moreover, these derivatives were assessed for their in-vitro antimicrobial activity against gram-positive, gram-negative bacteria, and fungal strains. Further studies were conducted to test their antioxidant activity using DPPH (2,2-diphenyl-1-picrylhydrazyl) scavenging assay. Molecular docking studies were realized to identify the most likely interactions of the novel compounds within the protein receptor. Results: The antimicrobial results showed that most of the compounds displayed good efficacy against both bacterial and fungal strains. The antioxidant study revealed that compounds 9d, 9a, 9b, 8c, and 6 exhibited the highest radical scavenging activity. Docking studies of the most active antimicrobial compounds within GLN- 6-P, recorded good scores with several binding interactions with the active sites. Conclusion: Based on the obtained results, it was found that compounds 8b, 9b, and 9c displayed the highest activity against both bacterial and fungal strains. The obtained findings from the DPPH radical scavenging method revealed that compounds 9d and 9a exhibited the strongest scavenging potential. The molecular docking studies proved that the most active antimicrobial compounds 8b, 9b and 9c displayed the highest energy binding scores within the glucosamine-6-phosphate synthase (GlcN-6-P) active site.


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