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Year 2025, Volume: 46 Issue: 2, 329 - 337, 30.06.2025

Adem Necip

https://doi.org/10.17776/csj.1644586

Abstract

References

  • [1] I.D. Atlas, t.E. Committee, International Diabetes Federation: Brussels, Belgium, (2015).
  • [2] W. Benalla, S. Bellahcen, M. Bnouham, Antidiabetic medicinal plants as a source of alpha glucosidase inhibitors, Current Diabetes Reviews, 6 (2010) 247-254.
  • [3] W.H. Organization, Global Report on Diabetes, World Health Organization, (2016).
  • [4] Malaguarnera, Giugno, Ruello, Rizzo, Motta, Mazzoleni, Acarbose is an effective adjunct to dietary therapy in the treatment of hypertriglyceridaemias, British Journal Of Clinical Pharmacology, 48 (1999) 605-609.
  • [5] Y.-J. Shim, H.-K. Doo, S.-Y. Ahn, Y.-S. Kim, J.-K. Seong, I.-S. Park, B.-H. Min, Inhibitory effect of aqueous extract from the gall of Rhus chinensis on alpha-glucosidase activity and postprandial blood glucose, Journal of Ethnopharmacology, 85 (2003) 283-287.
  • [6] M. Nawaz, M. Taha, F. Qureshi, N. Ullah, M. Selvaraj, S. Shahzad, S. Chigurupati, A. Waheed, F.A. Almutairi, Structural elucidation, molecular docking, α-amylase and α-glucosidase inhibition studies of 5-amino-nicotinic acid derivatives, Bmc Chemistry, 14 (2020) 1-11.
  • [7] A. Reuser, H. Wisselaar, An evaluation of the potential side‐effects of α‐glucosidase inhibitors used for the management of diabetes mellitus, European journal of clinical investigation, 24 (1994) 19-24.
  • [8] Z.-J. Lin, L.-P. He, C.-P. Li, Research Progress of Risk Factors Associated with Gestational Diabetes Mellitus, Endocrine, Metabolic & Immune Disorders-Drug Targets, 25 (2025) 99-108.
  • [9] M.S. Hossain, M.A. Kader, K.W. Goh, M. Islam, M.S. Khan, M. Harun-Ar Rashid, D.J. Ooi, H.D. Melo Coutinho, Y.M. Al-Worafi, S. Moshawih, Herb and spices in colorectal cancer prevention and treatment: A narrative review, Frontiers in Pharmacology, 13 (2022) 865801.
  • [10] W. Zhang, Y. Bai, Y. Wang, W. Xiao, Polypharmacology in drug discovery: a review from systems pharmacology perspective, Current Pharmaceutical Design, 22 (2016) 3171-3181.
  • [11] A. Necip, I. Demirtas, S.E. Tayhan, M. Işık, S. Bilgin, İ.F. Turan, Y. İpek, Ş. Beydemir, Isolation of phenolic compounds from eco‐friendly white bee propolis: Antioxidant, wound‐healing, and anti‐Alzheimer effects, Food Science & Nutrition, 12 (2024) 1928-1939.
  • [12] S. Samarghandian, M. Azimi-Nezhad, T. Farkhondeh, Catechin treatment ameliorates diabetes and its complications in streptozotocin-induced diabetic rats, Dose-response, 15 (2017) 1559325817691158.
  • [13] F. Afsharpour, M. Javadi, S. Hashemipour, Y. Koushan, Propolis supplementation improves glycemic and antioxidant status in patients with type 2 diabetes: A randomized, double-blind, placebo-controlled study, Complementary Therapies in Medicine, 43 (2019) 283-288.
  • [14] H. Kitamura, Effects of propolis extract and propolis-derived compounds on obesity and diabetes: knowledge from cellular and animal models, Molecules, 24 (2019) 4394.
  • [15] G.M. Morris, M. Lim-Wilby, Molecular docking, Molecular modeling of proteins, (2008) 365-382.
  • [16] E. Gayathiri, P. Prakash, S.Y. Chaudhari, S. Sabarathinam, S.D. Priyadharshini, M.K. Al-Sadoon, J. Panneerselvam, S.W. Chang, B. Ravindran, R.R. Mani, Interaction of molecular mechanisms of plant-derived metabolites in Type 2 diabetes mellitus: A network pharmacology, docking and molecular dynamics approach on AKT1 kinase, Energy Nexus, 17 (2025) 100351.
  • [17] M. Yildirim, E. Yasar, A. Necip, M. Cimentepe, B. Demirbağ, A. Kilic, Facile synthesis and spectral analysis of the bioactive spiroborate compounds as a novel therapeutic agent for computational insights, biological evaluation, and applications, Journal of Organometallic Chemistry, (2025) 123510.
  • [18] M. Yildirim, A. Kilic, M. Cimentepe, A. Necip, S. Turedi, Synthesis of bioactive quercetin-boronate esters as a novel biological agent: Enzyme inhibition, anti-microbial properties, computational insights and anti-cancer activity, Journal of Molecular Structure, 1321 (2025) 140216.
  • [19] M. Yildirim, K. Dogan, A. Necip, M. Cimentepe, Naringenin-loaded pHEMA cryogel membrane: preparation, characterization, antibacterial activity and in silico studies, Chemical Papers, (2024) 1-10.
  • [20] A. Necip, Kardiyovasküler Hastaliklarda Doğal Ürünler: Kurkumin ve Quercetin Moleküler Docking, Mehes Journal, 2 (2024) 1-9.
  • [21] T.G. Dikme, A. Necip, R. Dikme, S. Güneş, Effect of Phytosterols in Apricot Kernel on Cholesterol: Molecular Docking, Mehes Journal, 2 (2024) 28-38.

Natural Remedies for Type 2 Diabetes: Evaluation of Phytochemicals with Bioinformatics and Molecular Approaches/ ADME/T Analysis

Year 2025, Volume: 46 Issue: 2, 329 - 337, 30.06.2025

Adem Necip

https://doi.org/10.17776/csj.1644586

Abstract

Diabetes mellitus (DM) is a rapidly spreading chronic disease worldwide, affecting more than 10% of the adult population. Type 2 diabetes (T2DM) accounts for the vast majority of DM cases and can lead to serious health complications. While current treatment options such as α-Glucosidase inhibitors are effective, new alternatives need to be explored due to absorption problems and side effects. In this context, natural compounds have significant potential. The antioxidant, anti-inflammatory and insulin sensitizing effects of phytochemicals offer a promising option in diabetes management. The therapeutic efficacy of phytochemicals can be determined using computational approaches, systems biology and network pharmacology. In this study, the interactions between important diabetes target proteins (1RE1, 5NJK, 5VK1, 5WBL and 6B1E) and phytochemicals (Catechine, 3′,4′-Di-O-benzyl-7-O-(2-hydroxyethyl)-3-O-methylquercetin, Retusapurpurin_A, Sakuranetin and Thevetiaflavone) were analyzed by molecular docking methods. The highest docking score values of -6.710, -6.173, -5.806 and -5.779 kcal/mol were found between 5VK1/catechine, 5NJK/3′,4′-Di-O-benzyl-7-O-(2-hydroxyethyl)-3-O-methylquercetin 6B1E/catechine and 5WBL/catechine, respectively. Furthermore, ADME/T calculations were performed to evaluate the pharmacokinetic properties of these compounds. The findings reveal the potential of natural compounds in the treatment of diabetes and aim at additional contributions of natural products to the treatment in the future.

Keywords

Diabetes mellitus Phytochemicals Molecular docking α-Glucosidase inhibitors ADME/T analysis

References

  • [1] I.D. Atlas, t.E. Committee, International Diabetes Federation: Brussels, Belgium, (2015).
  • [2] W. Benalla, S. Bellahcen, M. Bnouham, Antidiabetic medicinal plants as a source of alpha glucosidase inhibitors, Current Diabetes Reviews, 6 (2010) 247-254.
  • [3] W.H. Organization, Global Report on Diabetes, World Health Organization, (2016).
  • [4] Malaguarnera, Giugno, Ruello, Rizzo, Motta, Mazzoleni, Acarbose is an effective adjunct to dietary therapy in the treatment of hypertriglyceridaemias, British Journal Of Clinical Pharmacology, 48 (1999) 605-609.
  • [5] Y.-J. Shim, H.-K. Doo, S.-Y. Ahn, Y.-S. Kim, J.-K. Seong, I.-S. Park, B.-H. Min, Inhibitory effect of aqueous extract from the gall of Rhus chinensis on alpha-glucosidase activity and postprandial blood glucose, Journal of Ethnopharmacology, 85 (2003) 283-287.
  • [6] M. Nawaz, M. Taha, F. Qureshi, N. Ullah, M. Selvaraj, S. Shahzad, S. Chigurupati, A. Waheed, F.A. Almutairi, Structural elucidation, molecular docking, α-amylase and α-glucosidase inhibition studies of 5-amino-nicotinic acid derivatives, Bmc Chemistry, 14 (2020) 1-11.
  • [7] A. Reuser, H. Wisselaar, An evaluation of the potential side‐effects of α‐glucosidase inhibitors used for the management of diabetes mellitus, European journal of clinical investigation, 24 (1994) 19-24.
  • [8] Z.-J. Lin, L.-P. He, C.-P. Li, Research Progress of Risk Factors Associated with Gestational Diabetes Mellitus, Endocrine, Metabolic & Immune Disorders-Drug Targets, 25 (2025) 99-108.
  • [9] M.S. Hossain, M.A. Kader, K.W. Goh, M. Islam, M.S. Khan, M. Harun-Ar Rashid, D.J. Ooi, H.D. Melo Coutinho, Y.M. Al-Worafi, S. Moshawih, Herb and spices in colorectal cancer prevention and treatment: A narrative review, Frontiers in Pharmacology, 13 (2022) 865801.
  • [10] W. Zhang, Y. Bai, Y. Wang, W. Xiao, Polypharmacology in drug discovery: a review from systems pharmacology perspective, Current Pharmaceutical Design, 22 (2016) 3171-3181.
  • [11] A. Necip, I. Demirtas, S.E. Tayhan, M. Işık, S. Bilgin, İ.F. Turan, Y. İpek, Ş. Beydemir, Isolation of phenolic compounds from eco‐friendly white bee propolis: Antioxidant, wound‐healing, and anti‐Alzheimer effects, Food Science & Nutrition, 12 (2024) 1928-1939.
  • [12] S. Samarghandian, M. Azimi-Nezhad, T. Farkhondeh, Catechin treatment ameliorates diabetes and its complications in streptozotocin-induced diabetic rats, Dose-response, 15 (2017) 1559325817691158.
  • [13] F. Afsharpour, M. Javadi, S. Hashemipour, Y. Koushan, Propolis supplementation improves glycemic and antioxidant status in patients with type 2 diabetes: A randomized, double-blind, placebo-controlled study, Complementary Therapies in Medicine, 43 (2019) 283-288.
  • [14] H. Kitamura, Effects of propolis extract and propolis-derived compounds on obesity and diabetes: knowledge from cellular and animal models, Molecules, 24 (2019) 4394.
  • [15] G.M. Morris, M. Lim-Wilby, Molecular docking, Molecular modeling of proteins, (2008) 365-382.
  • [16] E. Gayathiri, P. Prakash, S.Y. Chaudhari, S. Sabarathinam, S.D. Priyadharshini, M.K. Al-Sadoon, J. Panneerselvam, S.W. Chang, B. Ravindran, R.R. Mani, Interaction of molecular mechanisms of plant-derived metabolites in Type 2 diabetes mellitus: A network pharmacology, docking and molecular dynamics approach on AKT1 kinase, Energy Nexus, 17 (2025) 100351.
  • [17] M. Yildirim, E. Yasar, A. Necip, M. Cimentepe, B. Demirbağ, A. Kilic, Facile synthesis and spectral analysis of the bioactive spiroborate compounds as a novel therapeutic agent for computational insights, biological evaluation, and applications, Journal of Organometallic Chemistry, (2025) 123510.
  • [18] M. Yildirim, A. Kilic, M. Cimentepe, A. Necip, S. Turedi, Synthesis of bioactive quercetin-boronate esters as a novel biological agent: Enzyme inhibition, anti-microbial properties, computational insights and anti-cancer activity, Journal of Molecular Structure, 1321 (2025) 140216.
  • [19] M. Yildirim, K. Dogan, A. Necip, M. Cimentepe, Naringenin-loaded pHEMA cryogel membrane: preparation, characterization, antibacterial activity and in silico studies, Chemical Papers, (2024) 1-10.
  • [20] A. Necip, Kardiyovasküler Hastaliklarda Doğal Ürünler: Kurkumin ve Quercetin Moleküler Docking, Mehes Journal, 2 (2024) 1-9.
  • [21] T.G. Dikme, A. Necip, R. Dikme, S. Güneş, Effect of Phytosterols in Apricot Kernel on Cholesterol: Molecular Docking, Mehes Journal, 2 (2024) 28-38.
There are 21 citations in total.

Details

Primary Language English
Subjects Enzymes
Journal Section Natural Sciences
Authors

Adem Necip 0000-0002-2092-7829

Publication Date June 30, 2025
Submission Date February 21, 2025
Acceptance Date April 24, 2025
Published in Issue Year 2025Volume: 46 Issue: 2

Cite

APA Necip, A. (2025). Natural Remedies for Type 2 Diabetes: Evaluation of Phytochemicals with Bioinformatics and Molecular Approaches/ ADME/T Analysis. Cumhuriyet Science Journal, 46(2), 329-337. https://doi.org/10.17776/csj.1644586