INHIBITION ACTIVITY OF LIQUID SMOKE COCOS NUCIFERA L. ON DPP-IV AND AGE-RAGE IN SILICO AND IN VITRO: ANTIDIABETIC AND ANTI-INFLAMMATORY ACTIVITY
DOI:
https://doi.org/10.22159/ijap.2024v16i5.51231Keywords:
DPP4 inhibitor, AGE-RAGE, Liquid smoke, Nelson-somogyi, Protein denaturationAbstract
Objective: The research aims to predict the inhibitory activity of liquid smoke compounds from coconut shells (Cocos nucifera L.) In silico and to determine the activity on reduction of glucose levels by the Nelson-Somogyi method and anti-inflammatory effect on the inhibition of protein denaturation in vitro.
Methods: This research used biological activity prediction, physicochemical prediction, molecular docking, and in vitro analysis using a UV-Vis spectrophotometer.
Results: There were 13 liquid smoke compounds from Gas Chromatography-Mass Spectrometry (GCMS) result and shows that every liquid smoke compound has wound-healing activity and complies with Lipinski's Rule of Five. Urea did not fulfil the AMES Toxicity parameter, and four compounds had the highest level of toxicity. From the docking results, the binding affinity score between liquid smoke compounds and DPP4 inhibitors ranged from-5.3 to-3.0. Meanwhile, the Advance Glycation End Products Receptors (AGE-RAGE) receptor went from -2.5 to -1.5. 13 compounds had inhibitory activity on Dipeptidyl Peptidase 4 (DPP4); meanwhile, there are 12 compounds on AGE-RAGE In silico. The activity of liquid smoke antidiabetic at 10 µg/ml was 31.26%, while quercetin was 46.36%. In the anti-inflammatory analysis, the IC50 value of the liquid smoke compound was 22.41 µg/ml, while diclofenac sodium was 0.42 µg/ml.
Conclusion: The result shows that 13 liquid smoke compounds had inhibitory activity on DPP4, while 12 compounds on AGE-RAGE were In silico. The in vitro results found that liquid smoke compounds have glucose-reducing activity, and from the IC50 value, it is concluded that both compounds have potent anti-inflammatory activity.
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Wijaya L, Budiyanto A, Astuti I, Mustofa. Pathogenesis evaluation and recent management of diabetic foot ulcer. J Med Sci. 2019;51(1):82-97. doi: 10.19106/JMedSci005101201910.
Surboyo MD, Arundina I, Rahayu RP, Mansur D, Bramantoro T. Potential of distilled liquid smoke derived from coconut (cocos nucifera l) shell for traumatic ulcer healing in diabetic rats. Eur J Dent. 2019;13(2):271-9. doi: 10.1055/s-0039-1693527, PMID 31487751.
Surboyo MD, Mahdani FY, Ayuningtyas NF, Santosh AB, Ernawati DS, Mansur D. The cytotoxicity anti-inflammation anti-nociceptive and oral ulcer healing properties of coconut shell liquid smoke. J Herb Med Pharmacol. 2021;10(4):459-67. doi: 10.34172/jhp.2021.53.
Saboo A, Rathnayake A, Vangaveti VN, Malabu UH. Wound healing effects of dipeptidyl peptidase-4 inhibitors an emerging concept in management of diabetic foot ulcer a review. Diabetes Metab Syndr. 2016;10(2):113-9. doi: 10.1016/j.dsx.2015.04.006, PMID 25990796.
Zhang KW, Liu SY, Jia Y, Zou ML, Teng YY, Chen ZH. Insight into the role of DPP-4 in fibrotic wound healing. Biomed Pharmacother. 2022;151:113143. doi: 10.1016/j.biopha.2022.113143, PMID 35643071.
Peppa M, Stavroulakis P, Raptis SA. Advanced glycoxidation products and impaired diabetic wound healing. Wound Repair Regen. 2009;17(4):461-72. doi: 10.1111/j.1524-475X.2009.00518.x, PMID 19614910.
Pugazhendhi D, Umamaheswari TS. In silico methods in drug discovery a review. Int J Adv Res Comput Sci Softw Eng. 2013;3(5).
Vifta R, Wilantika N, Advistasari YD. Aktivitas in vitro penurun gula darah dari ekstrak buah parijoto (medinilla speciosa b.). Bul Penelitian Tanaman Rempah Obat. 2020;31(1):31-9. doi: 10.21082/bullittro.v31n1.2020.31-39.
Risfaheri R, Hoerudin H, Syakir M. Utilization of rice husk for production of multifunctional liquid smoke. Adv Agric Technol. 2018;5(3):192-7. doi: 10.18178/joaat.5.3.192-197.
Masfria M, Sumaiyah S, Syahputra H, Witarman M. Formulation and evaluation of antibacterial and anti-inflammatory capsules containing phyllanthus emblica l. fruit nanoparticles. Sci Technol Indones. 2023;8(4):607-15. doi: 10.26554/sti.2023.8.4.607-615.
Shamsuddin T, Hosen M, Alam M, Emran T, Kawsar S. Uridine derivatives antifungal pass outcomes, ADME/T, drug likeliness molecular docking and binding energy calculations. Med-Science. 2021;10(4):1373. doi: 10.5455/medscience.2021.05.175.
Lin PH, Sermersheim M, Li H, Lee PH, Steinberg SM, Ma J. Zinc in wound healing modulation. Nutrients. 2017;10(1):16. doi: 10.3390/nu10010016, PMID 29295546.
Wu L, Yu YL, Galiano RD, Roth SI, Mustoe TA. Macrophage colony stimulating factor accelerates wound healing and upregulates TGF-β1 mRNA levels through tissue macrophages. J Surg Res. 1997;72(2):162-9. doi: 10.1006/jsre.1997.5178, PMID 9356238.
Olukman M, Orhan CE, Çelenk FG, Ulker S. Apocynin restores endothelial dysfunction in streptozotocin diabetic rats through regulation of nitric oxide synthase and NADPH oxidase expressions. J Diabetes Complications. 2010;24(6):415-23. doi: 10.1016/j.jdiacomp.2010.02.001, PMID 20226688.
Ulugbek Yusufjanovich E. Assessment of the process of epithelialization after complex treatment of diabetic foot syndrome. Texas Journal of Medical Science. 2023;16:19-23.
Yuan X, Han L, Fu P, Zeng H, Lv C, Chang W. Cinnamaldehyde accelerates wound healing by promoting angiogenesis via up regulation of PI3K and MAPK signaling pathways. Lab Invest. 2018;98(6):783-98. doi: 10.1038/s41374-018-0025-8, PMID 29463877.
He S, Liao TT, Chen YT, Kuo HM, Lin YL. Glutathione-s-transferase enhances proliferation migration and protects against shikonin induced cell death in breast cancer cells. Kaohsiung J Med Sci. 2011;27(11):477-84. doi: 10.1016/j.kjms.2011.06.010, PMID 22005156.
Tsuchida Y, Hatao F, Fujisawa M, Murata T, Kaminishi M, Seto Y. Neuronal stimulation with 5-hydroxytryptamine 4 receptor induces anti-inflammatory actions via α7nACh receptors on muscularis macrophages associated with postoperative ileus. Gut. 2011;60(5):638-47. doi: 10.1136/gut.2010.227546, PMID 21115544.
Lee CH, Huang CH, Hung KC, Huang SC, Kuo CC, Liu SJ. Nanofibrous vildagliptin/PLGA membranes accelerate diabetic wound healing by angiogenesis. Pharmaceuticals (Basel). 2022;15(11):1358. doi: 10.3390/ph15111358, PMID 36355530.
Hussen NH. Synthesis characterization molecular docking ADMET prediction and anti-inflammatory activity of some schiff bases derived from salicylaldehyde as a potential cyclooxygenase inhibitor. Baghdad Sci J. 2023;20(5):7405. doi: 10.21123/bsj.2023.7405.
Zadorozhnii PV, Kiselev VV, Kharchenko AV. In silico ADME profiling of salubrinal and its analogues. Future Pharmacol. 2022;2(2):160-97. doi: 10.3390/futurepharmacol2020013.
Listyani TA, Fauzi F, Ariyanti A, Wardani TS. In silico ADME and toxicity studies of derivative phthalimide compounds as non-nucleoside HIV-1 reverse transcriptase inhibitor. PICNHS. 2022;3(1):17-26. doi: 10.37287/picnhs.v3i1.1109.
Lombardo F, Bentzien J, Berellini G, Muegge I. In silico models of human PK parameters. Prediction of volume of distribution using an extensive data set and a reduced number of parameters. J Pharm Sci. 2021;110(1):500-9. doi: 10.1016/j.xphs.2020.08.023, PMID 32891631.
Zhang T, Yang F, Qin X, Yang X, Zhang C, Wan Z. Investigation of the in vivo in vitro and in silico wound healing potential of pinctada martensii purified peptides. Mar Drugs. 2022;20(7):417. doi: 10.3390/md20070417, PMID 35877710.
Banerjee P, Eckert AO, Schrey AK, Preissner R. Protox-II a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res. 2018;46(W1):W257-63. doi: 10.1093/nar/gky318, PMID 29718510.
Pilus NS, Muhamad A, Shahidan MA, Yusof NY. Potential of epidermal growth factor like peptide from the sea cucumber stichopus horrens to increase the growth of human cells in silico molecular docking approach. Mar Drugs. 2022;20(10):596. doi: 10.3390/md20100596, PMID 36286420.
Agustin AT, Safitri A, Fatchiyah F. An in silico approach reveals the potential function of cyanidin-3-o-glucoside of red rice in inhibiting the advanced glycation end products (AGES)-receptor (RAGE) signaling pathway. Acta Inform Med. 2020;28(3):170-9. doi: 10.5455/aim.2020.28.170-179, PMID 33417643.
Rozano L, Abdullah Zawawi MR, Ahmad MA, Jaganath IB. Computational analysis of gynura bicolor bioactive compounds as dipeptidyl peptidase-IV inhibitor. Adv Bioinformatics. 2017;2017:5124165. doi: 10.1155/2017/5124165, PMID 28932239.
Lili L, Fadilah F, Kusmarinah B, Siti S, Em Y. Molecular dynamic simulation of centella asiatica compound as an inhibitor of advanced glycation end products. J App Pharm Sci. 2020;10(8):10801. doi: 10.7324/JAPS.2020.10801.
Tarawan VM, Mantilidewi KI, Dhini IM, Radhiyanti PT, Sutedja E. Coconut shell liquid smoke promotes burn wound healing. J Evid Based Complementary Altern Med. 2017;22(3):436-40. doi: 10.1177/2156587216674313, PMID 27821610.
Anyasor GN, Okanlawon AA, Ogunbiyi B. Evaluation of anti-inflammatory activity of Justicia secunda vahl leaf extract using in vitro and in vivo inflammation models. Clin Phytosci. 2019;5(1):137-8. doi: 10.1186/s40816-019-0137-8.
Douadi K, Chafaa S, Douadi T, Al-Noaimi M, Kaabi I. Azoimine quinoline derivatives synthesis classical and electrochemical evaluation of antioxidant anti-inflammatory antimicrobial activities and the DNA/BSA binding. J Mol Struct. 2020;1217:128305. doi: 10.1016/j.molstruc.2020.128305.
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