Befunolol as a potential inhibitor of glycogen phosphorylase: an in silico approach

Pavani Nadavapalli Padmini Nadavapalli Kavya Sritha Bojja Kavishankar Gawli   

Open Access   

Published:  May 25, 2024

DOI: 10.7324/JABB.2024.133440

Glycogen phosphorylase (GP) is a rate-limiting allosteric enzyme in the glycogenolysis pathway that contributes to hyperglycemia in type 2 diabetes (T2D). Hence, researchers consider GP a validated target to treat T2D. Commercial antidiabetic drugs are effective but have undesirable effects. Our search for a safer drug led us to investigate a potential GP inhibitor that could modulate blood glucose levels with minimal or no side effects. Herein, we report seven structural analogs of the reference compound N-acetyl-beta-D-glucopyranosyl amine (NBG) (analog of D-glucose) targeting the active site of human liver GPa (PDB ID: 1FC0). In silico molecular docking studies were conducted to predict GPa-ligand interactions. We analyzed drug-likeness and absorption, distribution, metabolism, excretion, and toxicity (ADMET) parameters using AutoDock 4.2, Discovery Studio, SwissADME, ProTox-II, and ADMETlab web tools. Among all compounds, befunolol (−8.83 kcal/mol) exhibited the highest affinity than NBG (−6.20 kcal/mol) for the binding pocket of GPa and inferred a good pharmacokinetic profile. Toxicological endpoint prediction analysis showed befunolol as a non-hERG blocker and non-carcinogenic with a drug score (0.95) higher than NBG (0.30) and an LD50 value of 922 mg/kg. A molecular dynamics simulation of befunolol and NBG for 100 ns using Schrödinger software revealed the stability of protein-ligand complexes. Overall, our findings suggest that befunolol could represent a potential therapeutic drug candidate worth exploring in cell-based and pre-clinical studies.

Keyword:     Absorption Distribution Metabolism Excretion Toxicity Diabetes Docking Glycogen phosphorylase Inhibitor Molecular dynamics simulations ProTox-II


Nadavapalli P, Nadavapalli P, Bojja KS, Gawli K. Befunolol as a potential inhibitor of glycogen phosphorylase: an in silico approach. J App Biol Biotech. 2024. Online First.

Copyright: Author(s). This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike license.

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1. Ekstrom JL, Pauly TA, Carty MD, Soeller WC, Culp J, Danley DE, et al. Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase. Chem Biol 2002;9:915-24.

2. Mechchate H, Es-Safi I, Bourhia M, Kyrylchuk A, El Moussaoui A, Conte R, et al. In-vivo antidiabetic activity and in-silico mode of action of LC/MS-MS identified flavonoids in Oleaster leaves. Molecules 2020;25:5073.

3. Somsák L, Czifrák K, Tóth M, Bokor E, Chrysina ED, Alexacou KM, et al. New inhibitors of glycogen phosphorylase as potential antidiabetic agents. Curr Med Chem 2008;15:2933-83.

4. Klabunde T, Wendt KU, Kadereit D, Brachvogel V, Burger HJ, Herling AW, et al. Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of Type 2 diabetes. J Med Chem 2005;48:6178-93.

5. Oikonomakos NG, Schnier JB, Zographos SE, Skamnaki VT, Tsitsanou KE, Johnson LN. Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site. J Biol Chem 2000;275:34566-73.

6. Rocha S, Aniceto N, Guedes RC, Albuquerque HM, Silva VL, Silva AM, et al. An in silico and an in vitro inhibition analysis of glycogen phosphorylase by flavonoids, styrylchromones, and pyrazoles. Nutrients 2022;14:306.

7. Daina A, Michielin O, Zoete V. SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci Rep 2017;7:42717.

8. Dong J, Wang NN, Yao ZJ, Zhang L, Cheng Y, Ouyang D, et al. ADMETlab: A platform for systematic ADMET evaluation based on a comprehensively collected ADMET database. J Cheminform 2018;10:29.

9. Banerjee P, Eckert AO, Schrey AK, Preissner R. ProTox-II: A webserver for the prediction of toxicity of chemicals. Nucleic Acids Res 2018;46:W257-63.

10. Rath VL, Ammirati M, LeMotte PK, Fennell KF, Mansour MN, Danley DE, et al. Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core. Mol Cell 2000;6:139-48.

11. Drwal MN, Banerjee P, Dunkel M, Wettig MR, Preissner R. ProTox: A web server for the in silico prediction of rodent oral toxicity. Nucleic Acids Res 2014;42:W53-8.

12. Martin YC. A bioavailability score. J Med Chem 2005;48:3164-70.

13. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 2001;46:3-26.

14. Pathak M, Ojha H, Tiwari AK, Sharma D, Saini M, Kakkar R. Design, synthesis and biological evaluation of antimalarial activity of new derivatives of 2,4,6-s-triazine. Chem Cent J 2017;11:132.

15. Clark DE. Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption. J Pharm Sci 1999;88:807-14.

16. Hollenberg PF. Characteristics and common properties of inhibitors, inducers, and activators of CYP enzymes. Drug Metab Rev 2002;34:17-35.

17. Van Waterschoot RA, Schinkel AH. A critical analysis of the interplay between cytochrome P450 3A and P-glycoprotein: Recent insights from knockout and transgenic mice. Pharmacol Rev 2011;63:390- 410.

18. Guengerich FP. Cytochrome P-450 3A4: Regulation and role in drug metabolism. Annu Rev Pharmacol Toxicol 1999;39:1-17.

19. Sadeghi M, Moradi M, Madanchi H, Johari B. In silico study of garlic (Allium sativum L.)-derived compounds molecular interactions with α-glucosidase. In Silico Pharmacol 2021;9:11.

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