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In silico investigation of wound healing potential of some compounds in tubers of Asphodelus species with GSK3-β protein

Yıl 2021, Cilt: 25 Sayı: 5, 747 - 754, 28.06.2025

Halil Aksoy , Turgut Şekerler , Naz Mina Mert

Öz

Wound healing is a process that involves biochemical processes such as inflammation and cell proliferation and is controlled by many proteins. It is known that one of the most effective factors in this process is the inhibition of GSK3-β protein. In current study, in silico wound healing activity of the some compounds found in the tubers of Asphodelus species used as a wound healing in traditional medicine were investigated. For this purpose, the interactions between the compounds and GSK3-β protein were studied in silico. As a result of the study, it has been determined that and stigmasterol, β-sitosterol and emodin molecules are effective.

Anahtar Kelimeler

Asphodelus species β-sitosterol emodin GSK3-β protein stigmasterol wound healing activity

Kaynakça

  • [1] Drew AF, Liu H, Davidson JM, Daugherty CC, Degen JL. Wound-healing defects in mice lacking fibrinogen. Blood. 2001; 97: 3691-3698.
  • [2] Paramesha M, Ramesh CK, Krishna V, Kumar Swamy HM, Aditya Rao SJ, Hoskerri J. Effect of dehydroabietylamine in angiogenesis and GSK3-β inhibition during wound healing activity in rats. Med Chem Res. 2015; 24: 295-303.
  • [3] Harish BG, Krishna V, Santosh Kumar HS, Khadeer Ahamed BM, Sharath R, Kumara Swamy HM. Wound healing activity and docking of glycogen-synthase-kinase-3-beta-protein with isolated triterpenoid lupeol in rats. Phytomedicine. 2008; 15: 763-767.
  • [4] Jere SW, Houreld NN, Abrahamse H. Role of the PI3K/AKT (mTOR and GSK3β) signalling pathway and photobiomodulation in diabetic wound healing. Cytokine Growth Factor Rev. 2019; 50: 52-59.
  • [5] Kapoor M, Liu S, Shi-wen X, Huh K, McCann M, Denton CP, Woodgett JR, Abraham DJ, Leask A. GSK-3beta in mouse fibroblasts controls wound healing and fibrosis through an endothelin-1-dependent mechanism. J Clin Invest. 2008; 118(10): 3279-3290.
  • [6] Mayouf N, Charef N, Saoudi S, Baghiani A, Khennouf S, Arrar L. Antioxidant and anti-inflammatory effect of Asphodelus microcarpus methanolic extracts. J Ethnopharmacol. 2019; 239: 111914.
  • [7] Adinolfi M, Lanzetta R, Marciano CE, De Giulio MPA. A new class of anthraquinone-anthrone-C-glycosides from Asphodelus ramosus tubers. Tetrahedron. 1991; 47(25): 4435-4440.
  • [8] 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.
  • [9] Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, Olson AJ. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility J Comput Chem. 2009; 30(16): 2785-2791.
  • [10] Ogunleye AJ, Olanrewaju AJ, Arowosegbe M, Omotuyi OI. Molecular docking based screening analysis of GSK3B, Bioinformation. 2019; 15: 201-208.
  • [11] Systemes D. BIOVIA Materials Studio. 2016.
  • [12] Sorg H, Tilkorn DJ, Hager S, Hauser J, Mirastschijski U. Skin wound healing: An update on the current knowledge and concepts. Eur Surg Res. 2017; 58: 81-94.
  • [13]Islam Reshad RA, Alam S, Raihan HB, Meem KN, Rahman F, Zahid F, Rafid MI, Rahman SMO, Omit S, Ali MH In Silico Investigations on Curcuminoids from Curcuma longa as Positive Regulators of Wnt/β-catenin Signaling Pathway in Wound Healing, bioRxiv. 2020. Research Article [14] Leclerc S, Garnier M, Hoessel R, Marko D, Bibb JA, Snyder GL, Greengard P, Biernat J, Wu YZ, Mandelkow EM, Eisenbrand G, Meijer L. Indirubins inhibit glycogen synthase kinase-3 beta and CDK5/p25, two protein kinases involved in abnormal tau phosphorylation in Alzheimer's disease. A property common to most cyclin-dependent kinase inhibitors? J Biol Chem. 2001; 276: 251-260.
  • [15] Liang SH, Chen JM, Normandin MD, Chang JS, Chang GC, Taylor CK, Trapa P, Plummer MS, Para KS, Conn EL. Discovery of a highly selective glycogen synthase kinase‐ 3 inhibitor (PF‐ 04802367) that modulates tau phosphorylation in the brain: Translation for PET neuroimaging. Angew Chem. 2016; 128: 9753-9757.
  • [16] Naika HR, Krishna V, Lingaraju K, Chandramohan V, Dammalli M, Navya PN, Suresh, D. Molecular docking and dynamic studies of bioactive compounds from Naravelia zeylanica (L.) DC against glycogen synthase kinase-3β protein. J Taibah Uni Sci. 2015; 9(1): 41-49.
  • [17] Nisha CM, Kumar A, Vimal A, Bai BM, Pal D, Kumar A. (). Docking and ADMET prediction of few GSK-3 inhibitors divulges 6-bromoindirubin-3-oxime as a potential inhibitor. J Mol Graph Model. 2016; 65: 100-107.
  • [18] Middha SK, Goyal AK, Faizan SA, Sanghamitra N, Basistha BC, Usha T. In silico–based combinatorial pharmacophore modelling and docking studies of GSK-3β and GK inhibitors of Hippophae. J Biosci. 2013; 38(4): 805- 814.

Yıl 2021, Cilt: 25 Sayı: 5, 747 - 754, 28.06.2025

Halil Aksoy , Turgut Şekerler , Naz Mina Mert

Öz

Kaynakça

  • [1] Drew AF, Liu H, Davidson JM, Daugherty CC, Degen JL. Wound-healing defects in mice lacking fibrinogen. Blood. 2001; 97: 3691-3698.
  • [2] Paramesha M, Ramesh CK, Krishna V, Kumar Swamy HM, Aditya Rao SJ, Hoskerri J. Effect of dehydroabietylamine in angiogenesis and GSK3-β inhibition during wound healing activity in rats. Med Chem Res. 2015; 24: 295-303.
  • [3] Harish BG, Krishna V, Santosh Kumar HS, Khadeer Ahamed BM, Sharath R, Kumara Swamy HM. Wound healing activity and docking of glycogen-synthase-kinase-3-beta-protein with isolated triterpenoid lupeol in rats. Phytomedicine. 2008; 15: 763-767.
  • [4] Jere SW, Houreld NN, Abrahamse H. Role of the PI3K/AKT (mTOR and GSK3β) signalling pathway and photobiomodulation in diabetic wound healing. Cytokine Growth Factor Rev. 2019; 50: 52-59.
  • [5] Kapoor M, Liu S, Shi-wen X, Huh K, McCann M, Denton CP, Woodgett JR, Abraham DJ, Leask A. GSK-3beta in mouse fibroblasts controls wound healing and fibrosis through an endothelin-1-dependent mechanism. J Clin Invest. 2008; 118(10): 3279-3290.
  • [6] Mayouf N, Charef N, Saoudi S, Baghiani A, Khennouf S, Arrar L. Antioxidant and anti-inflammatory effect of Asphodelus microcarpus methanolic extracts. J Ethnopharmacol. 2019; 239: 111914.
  • [7] Adinolfi M, Lanzetta R, Marciano CE, De Giulio MPA. A new class of anthraquinone-anthrone-C-glycosides from Asphodelus ramosus tubers. Tetrahedron. 1991; 47(25): 4435-4440.
  • [8] 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.
  • [9] Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, Olson AJ. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility J Comput Chem. 2009; 30(16): 2785-2791.
  • [10] Ogunleye AJ, Olanrewaju AJ, Arowosegbe M, Omotuyi OI. Molecular docking based screening analysis of GSK3B, Bioinformation. 2019; 15: 201-208.
  • [11] Systemes D. BIOVIA Materials Studio. 2016.
  • [12] Sorg H, Tilkorn DJ, Hager S, Hauser J, Mirastschijski U. Skin wound healing: An update on the current knowledge and concepts. Eur Surg Res. 2017; 58: 81-94.
  • [13]Islam Reshad RA, Alam S, Raihan HB, Meem KN, Rahman F, Zahid F, Rafid MI, Rahman SMO, Omit S, Ali MH In Silico Investigations on Curcuminoids from Curcuma longa as Positive Regulators of Wnt/β-catenin Signaling Pathway in Wound Healing, bioRxiv. 2020. Research Article [14] Leclerc S, Garnier M, Hoessel R, Marko D, Bibb JA, Snyder GL, Greengard P, Biernat J, Wu YZ, Mandelkow EM, Eisenbrand G, Meijer L. Indirubins inhibit glycogen synthase kinase-3 beta and CDK5/p25, two protein kinases involved in abnormal tau phosphorylation in Alzheimer's disease. A property common to most cyclin-dependent kinase inhibitors? J Biol Chem. 2001; 276: 251-260.
  • [15] Liang SH, Chen JM, Normandin MD, Chang JS, Chang GC, Taylor CK, Trapa P, Plummer MS, Para KS, Conn EL. Discovery of a highly selective glycogen synthase kinase‐ 3 inhibitor (PF‐ 04802367) that modulates tau phosphorylation in the brain: Translation for PET neuroimaging. Angew Chem. 2016; 128: 9753-9757.
  • [16] Naika HR, Krishna V, Lingaraju K, Chandramohan V, Dammalli M, Navya PN, Suresh, D. Molecular docking and dynamic studies of bioactive compounds from Naravelia zeylanica (L.) DC against glycogen synthase kinase-3β protein. J Taibah Uni Sci. 2015; 9(1): 41-49.
  • [17] Nisha CM, Kumar A, Vimal A, Bai BM, Pal D, Kumar A. (). Docking and ADMET prediction of few GSK-3 inhibitors divulges 6-bromoindirubin-3-oxime as a potential inhibitor. J Mol Graph Model. 2016; 65: 100-107.
  • [18] Middha SK, Goyal AK, Faizan SA, Sanghamitra N, Basistha BC, Usha T. In silico–based combinatorial pharmacophore modelling and docking studies of GSK-3β and GK inhibitors of Hippophae. J Biosci. 2013; 38(4): 805- 814.
Toplam 17 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Eczacılık Biyokimyası
Bölüm Articles
Yazarlar

Halil Aksoy

Turgut Şekerler

Naz Mina Mert

Yayımlanma Tarihi 28 Haziran 2025
Yayımlandığı Sayı Yıl 2021 Cilt: 25 Sayı: 5

Kaynak Göster

APA Aksoy, H., Şekerler, T., & Mert, N. M. (2025). In silico investigation of wound healing potential of some compounds in tubers of Asphodelus species with GSK3-β protein. Journal of Research in Pharmacy, 25(5), 747-754.
AMA Aksoy H, Şekerler T, Mert NM. In silico investigation of wound healing potential of some compounds in tubers of Asphodelus species with GSK3-β protein. J. Res. Pharm. Temmuz 2025;25(5):747-754.
Chicago Aksoy, Halil, Turgut Şekerler, ve Naz Mina Mert. “In Silico Investigation of Wound Healing Potential of Some Compounds in Tubers of Asphodelus Species With GSK3-β Protein”. Journal of Research in Pharmacy 25, sy. 5 (Temmuz 2025): 747-54.
EndNote Aksoy H, Şekerler T, Mert NM (01 Temmuz 2025) In silico investigation of wound healing potential of some compounds in tubers of Asphodelus species with GSK3-β protein. Journal of Research in Pharmacy 25 5 747–754.
IEEE H. Aksoy, T. Şekerler, ve N. M. Mert, “In silico investigation of wound healing potential of some compounds in tubers of Asphodelus species with GSK3-β protein”, J. Res. Pharm., c. 25, sy. 5, ss. 747–754, 2025.
ISNAD Aksoy, Halil vd. “In Silico Investigation of Wound Healing Potential of Some Compounds in Tubers of Asphodelus Species With GSK3-β Protein”. Journal of Research in Pharmacy 25/5 (Temmuz 2025), 747-754.
JAMA Aksoy H, Şekerler T, Mert NM. In silico investigation of wound healing potential of some compounds in tubers of Asphodelus species with GSK3-β protein. J. Res. Pharm. 2025;25:747–754.
MLA Aksoy, Halil vd. “In Silico Investigation of Wound Healing Potential of Some Compounds in Tubers of Asphodelus Species With GSK3-β Protein”. Journal of Research in Pharmacy, c. 25, sy. 5, 2025, ss. 747-54.
Vancouver Aksoy H, Şekerler T, Mert NM. In silico investigation of wound healing potential of some compounds in tubers of Asphodelus species with GSK3-β protein. J. Res. Pharm. 2025;25(5):747-54.