scholarly journals Potential compounds phenolic group sawo leaves (Manilkara zapota) as an α-amylase inhibitor in type 2 diabetes mellitus by in silico

2021 ◽  
Author(s):  
Siti Imroatul Maslikah ◽  
Rif'atul Chusnul Khuluq ◽  
Ilfia Kholifaturrohmah ◽  
Lintang Miftahul Rizki ◽  
Atikah Amalia
Keyword(s):  
Diabetes Mellitus ◽  
Type 2 Diabetes ◽  
Type 2 Diabetes Mellitus ◽  
In Silico ◽  
Manilkara Zapota ◽  
Amylase Inhibitor ◽  
Phenolic Group

scholarly journals A Comparative Study of Gallic Acid, Ellagic Acid, Urolithin A, and Urolithin B with NF-κB Protein as Anti Type 2 Diabetes Mellitus by In Silico

JSMARTech ◽  
2020 ◽  
Vol 1 (2) ◽  
pp. 31-35
Author(s):  
Maulida Hikmaranti ◽  
◽  
Ajeng M. Astiyani ◽  
Khairul M. Hasanah ◽  
Nuril M. Maghfiroh ◽  
...  
Keyword(s):  
Diabetes Mellitus ◽  
Type 2 Diabetes ◽  
Type 2 Diabetes Mellitus ◽  
Comparative Study ◽  
Gallic Acid ◽  
Ellagic Acid ◽  
In Silico ◽  
Urolithin A ◽  
Urolithin B

scholarly journals IN SILICO ANALYSIS OF ACTIVE CONSTITUENTS OF SILYMARIN AS ΑLPHA-GLUCOSIDASE ENZYME INHIBITORS IN TYPE 2 DIABETES MELLITUS

2019 ◽  
pp. 225-229 ◽  
Author(s):  
AHMAD ZONOUBI ◽  
PRASHANTHA CN ◽  
D VISAGA PERUMAL ◽  
ZAHRA MAFIBANIASADI
Keyword(s):  
Diabetes Mellitus ◽  
Type 2 Diabetes ◽  
Type 2 Diabetes Mellitus ◽  
In Silico ◽  
Enzyme Inhibitors ◽  
In Silico Analysis ◽  
Active Constituents ◽  
Alpha Glucosidase ◽  
Silico Analysis

Objective: Type 2 diabetes mellitus (T2DM) is an acute metabolic disorder, in which the vogue is increasing persistently globally. The maltase-glucoamylase/alpha-glucosidase inhibitor is an oral antidiabetic drug collectively, which is utilizing for regulating carbohydrates that ordinarily transformed into simple sugars and absorbed by the intestine. Researchers need to constantly explore alternative therapeutic strategies for the clinical management of DM due to the increased adverse event caused by conservative antidiabetic agents. The present study proposes a substitute drug to examine the seven bioactive phytocomponents of Silybum marianum (milk thistle) that can regulate the hyperglycemia by downregulating alpha-glucosidase and its activity. Methods: Different integrated web-based in silico tools and techniques were used to model the enzyme (receptor) as well as to determine the druggability of different active constituents of silymarin and their pharmacokinetics were predicted. Further, the active site of the enzyme was predicted followed by molecular docking method. Results: The results show silychristin A and silydianin having less carcinogenicity and strong interaction to the target protein (alpha-glucosidase) compare to the reference drugs (acarbose and miglitol) and these two molecules can be used for the best drug molecules in T2DM. Conclusion: In the proposed study, the in silico analysis helps researchers to utilize these compounds for clinical applications. The conclusion also suggests that synthetically and semi-synthetically, nucleus and peripheral modifications, either in the form of skeletal rearrangements or partial degradations as well as functional group addition and replacement of the active molecules present in silymarin giving access to new structural motifs, which can be used in future as a lead compounds for antagonising the alpha-glucosidase in the treatment of diabetes mellitus.

scholarly journals Meat Proteins as Dipeptidyl Peptidase IV Inhibitors and Glucose Uptake Stimulating Peptides for the Management of a Type 2 Diabetes Mellitus In Silico Study

Nutrients ◽  
2019 ◽  
Vol 11 (10) ◽  
pp. 2537
Author(s):  
Paulina Kęska ◽  
Joanna Stadnik ◽  
Olga Bąk ◽  
Piotr Borowski
Keyword(s):  
Diabetes Mellitus ◽  
Type 2 Diabetes ◽  
Type 2 Diabetes Mellitus ◽  
Blood Glucose ◽  
In Silico ◽  
Pork Meat ◽  
Potential Source ◽  
Dpp Iv ◽  
Meat Proteins

Diabetes mellitus is a non-communicable disease entity currently constituting one of the most significant health problems. The development of effective therapeutic strategies for the prevention and/or treatment of diabetes mellitus based on the selection of methods to restore and maintain blood glucose homeostasis is still in progress. Among the different courses of action, inhibition of dipeptidyl peptidase IV (DPP-IV) can improve blood glucose control in diabetic patients. Pharmacological therapy offering synthetic drugs is commonly used. In addition to medication, dietary intervention may be effective in combating metabolic disturbances caused by diabetes mellitus. Food proteins as a source of biologically active sequences are a potential source of anti-diabetic peptides (DPP-IV inhibitors and glucose uptake stimulating peptides). This study showed that in silico pork meat proteins digested with gastrointestinal enzymes are a potential source of bioactive peptides with a high potential to control blood glucose levels in patients with type 2 diabetes mellitus. Analysis revealed that the sequences released during in silico digestion were small dipeptides (with an average weight of 270.07 g mol−1), and most were poorly soluble in water. The selected electron properties of the peptides with the highest bioactivity index (i.e., GF, MW, MF, PF, PW) were described using the DFT method. The contribution of hydrophobic amino acids, in particular Phe and Trp, in forming the anti-diabetic properties of peptides released from pork meat was emphasized.

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