Molecular modelling, synthesis and
            <i>in vitro</i>
            evaluation of quinazolinone hybrid analogues as potential pancreatic lipase inhibitors

George, Ginson; Yadav, Nisha; Auti, Prashant S.; Paul, Atish T.

doi:10.1080/07391102.2022.2144456

Cited by 5 publications

(2 citation statements)

References 44 publications

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“…Recently, plant sources [ 39 , 40 ] have been extensively studied as PL inhibitors. In addition, synthetic PL-inhibiting molecules like thiazole–benzimidazole conjugates [ 41 ], quinazolinone hybrid analogs [ 42 ], coumarin derivatives [ 43 ], indole–thiazolidinedione hybrids [ 44 ], and salicylanilides [ 45 ] have also been reported. However, numerous studies, such as (Mudgil, 2022) [ 25 ] (Ketprayoon, 2021) [ 46 ] and (Esfandi, 2021) [ 47 ], have investigated the anti-lipase activity of peptides from protein sources.…”

Section: Resultsmentioning

confidence: 99%

Synthesis and Characterization of Short α and β-Mixed Peptides with Excellent Anti-Lipase Activities

Ahmed,

Asif,

Arfan

et al. 2024

Molecules

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Obesity is a source of significant pathologies and deadly diseases, including heart disease, diabetes, and cancer. One of the most intriguing strategies in the hunt for new anti-obesity medications is the inhibition of pancreatic lipase (PL). This study presents a novel application of short α and β-mixed peptides as pancreatic lipase inhibitors. These peptides were synthesized in the solution phase and characterized using FTIR and 1H-NMR. L-proline is present in a high percentage of natural anti-lipase peptides and was used as a β-amino acid in this study to enhance anti-lipase activity and proteolytic stability. Moreover, L-α-proline was converted to β-amino acid derivatives using the Arndt–Eistert method with the advantage of stereo control at the α-carbon. The synthesized peptides with anti-lipase activity are N-Boc-β-Pro-Gly-OBz (93%), N-Boc-O-Bz-Tyr-β-Pro-β-Pro-Gly-OBz (92%), N-Boc-O-Bz-Tyr-β-Pro-COOH (91%), N-Boc-Phe-β-Pro-OCH3 (90%), and N-Boc-O-Bz-Tyr-β-Pro-OCH3 (89%). These peptides may function as lead molecules for further modification to more significant molecules, which can help control obesity.

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Section: Resultsmentioning

confidence: 99%

Synthesis and Characterization of Short α and β-Mixed Peptides with Excellent Anti-Lipase Activities

Ahmed,

Asif,

Arfan

et al. 2024

Molecules

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show abstract

“…have been explored as PL inhibitor for the management of obesity. [24][25][26][27][28][29] TZD core was selected due to its structural feature resemblance to the orlistat as it contains diamide linkage, which imparts potential PL inhibitory activity and the literature reports also showed its crucial role in the management of obesity by reducing the absorption of dietary fats through inhibition of PL. Various researchers reported the potential of TZD, Prashant Dhiman et al and Ginson George et al also explored the potential of TZD derivatives i. e. compound B and D in vivo and reported their glucose lowering, total cholesterol lowering and lipid profile lowering activity as depicted in Figure 1.…”

Section: Introductionmentioning

confidence: 99%

Identification of Novel Thiazolidinedione Based Pancreatic Lipase Inhibitors for the Management of Obesity Using In Silico Approach

Khator,

Singh,

Asati

et al. 2024

ChemistrySelect

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Accumulation of excessive fat in the body is an indication of obesity, which is becoming an alarming health concern around the world. Pancreatic lipase has been found to have a promising role in the digestion of dietary fats thereby inhibition of pancreatic lipase can be a therapeutic strategy for the management of obesity. Literature showed the anti‐pancreatic lipase potential of thiazolidinediones thereby the current study is designed to identify substituted thiazolidinedione‐based molecules as pancreatic lipase inhibitors. A 3D QSAR model with R2 value of 0.7283 and Stability of 0.843 was generated to determine the nature of substitution necessary for the inhibitory activity. Based on the generated 3D QSAR, the activity of 352 novel‐designed molecules was predicted and further screened through pharmacokinetic parameters. These compounds were docked into the binding site of the pancreatic lipase which led to the identification of 14 hit molecules with dock score between −9.523 to −7.604 kcal/mol. The molecular simulation studies and free energy calculation of the hit compounds i. e. 87 and 80 revealed good stability and binding in the active site of pancreatic lipase. The current study provides 14 hit molecules, which can be synthesized and further evaluated to explore their anti‐pancreatic lipase inhibitory activity.

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Synthesis of amide warhead containing coumarin derivatives as potential pancreatic lipase inhibitors: in silico and in vitro evaluation for obesity treatment

Yadav

Paul

2023

Med Chem Res

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Molecular modelling, synthesis and in vitro evaluation of quinazolinone hybrid analogues as potential pancreatic lipase inhibitors

Cited by 5 publications

References 44 publications

Synthesis and Characterization of Short α and β-Mixed Peptides with Excellent Anti-Lipase Activities

Synthesis and Characterization of Short α and β-Mixed Peptides with Excellent Anti-Lipase Activities

Identification of Novel Thiazolidinedione Based Pancreatic Lipase Inhibitors for the Management of Obesity Using In Silico Approach

Synthesis of amide warhead containing coumarin derivatives as potential pancreatic lipase inhibitors: in silico and in vitro evaluation for obesity treatment

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