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Submitted
April 30, 2023
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June 28, 2024
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Abstract

Nano lipid carriers (NLC) function by increasing the solubility and oral bioavailability of hydrophobic drugs. This study was conducted to estimate the solubility of pinostrobin in various types of solid and liquid lipid carriers through computational design and to select the optimal NLC formula with the best candidate lipid carriers. Pinostrobin and all lipid carriers were determined for their interactions with the AutoDockTools program. The values of the free energy binding (ΔG), the inhibition constant (Ki), and the type of interaction visibility were recorded as a result of the molecular docking. The interaction type of visualization was determined by the BIOVIA Discovery Studio program. The results showed that apocarotenal was the best liquid lipid carrier with a ΔG value of -3.57 kcal/mol and a Ki value of 2.40 mM. Cetosteryl alcohol was the best carrier for solid lipids, with a ΔG value of -2.18 kcal/mol and a Ki value of 25.35 mM. Apocarotenal and cetostearyl alcohol as lipid carrier candidates for the NLC formula of pinostrobin.

Keywords

computation NLC pinostrobin

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References

  1. Albasri, O.W.A., Kumar, P.V., and Rajagopal, M.S., 2023, Development of Computational In Silico Model for Nano Lipid Carrier Formulation of Curcumin, Molecules, 28(4), 1-23.
  2. Aryani, N.L.D., Siswandono, Soeratri, W., Putri, D.Y., Puspitasarini, P.D., 2021, Development, Characterization In Vitro and In Silico of Coenzyme Q10 Loaded Myristic Acid with Different Liquid Lipids Nanostructured Lipid Carriers, Journal of Pharmacy and Pharmacognosy Research, 9(5), 573–583.
  3. Bafna, D., Ban, F., Rennie, P.S., Singh, K., and Cherkasov, A., 2020, Computer-Aided Ligand Discovery for Estrogen Receptor Alpha, International Journal of Molecular Sciences, 21(12), 1–49.
  4. Basso, J., Mendes, M., Cova, T., Sousa, J., Pais, A., Fortuna, A., Vitorino, R., and Vitorino, C., 2022, A Stepwise Framework for The Systematic Development of Lipid Nanoparticles, Biomolecules, 12(2), 1–16.
  5. Chauhan, I., Yasir, M., and Singh, A.P., 2020, Nanostructured Lipid Carriers: A Groundbreaking Approach for Transdermal Drug Delivery, Tabriz University of Medical Sciences, 10(2), 150–165.
  6. Ghasemiyeh,P. and Mohammadi-Samani, S., 2018, Solid Lipid Nanoparticles and Nanostructured Lipid Carriers as Novel Drug Delivery Systems: Applications, Advantages and Disadvantages, Research in Pharmaceutical Sciences, 13(4), 288–303.
  7. Gupta, M., Sharma, R., and Kumar, A., 2018, Docking Techniques in Pharmacology: How Much Promising?, Computational Biology and Chemistry, 76, 210–217.
  8. Hessler, G. and Baringhaus, K. H., 2018, Artificial Intelligence in Drug Design, Molecules, 23(10).
  9. Jones, A. A. and Gehler, S., 2020, Acacetin and Pinostrobin Inhibit Malignant Breast Epithelial Cell Adhesion and Focal Adhesion Formation to Attenuate Cell Migration, Integrative Cancer Therapies, 19.
  10. Metwally, A.A. and Hathout, R.M., 2015, Computer-Assisted Drug Formulation Design: Novel Approach in Drug Delivery, Molecular Pharmaceutics, 12(8), 2800–2810.
  11. Murray, C.J., Ikuta, K.S., Sharara, F., Swetschinski, L., Robles, A.G., Gray, A., Han, C., Bisignano, C., Rao, P., Wool, E., Johnson, S.C., Browne, A.J., Chipeta, M.G., Fell, F., Hackett, S., Haines-Woodhouse, G., Kashef, B.H., Kumaran, E.A.P., McManigal, B., and Naghavi, M., 2022, Global Burden of Bacterial Antimicrobial Resistance in 2019: A Systematic Analysis. The Lancet, 399, 629–655.
  12. Nusantoro, Y.R. and Fadlan, A., 2021, The Effect of Energy Minimization on The Molecular Docking of Acetone-Based Oxindole, Jurnal Kimia Dan Pendidikan Kimia, 6(1), 69–77.
  13. Patil, A.S., Jaknoor, V., Gadad, A.P., Masareddy, R.S., Danadagi, P.M., and Bolmal, U., 2022, Nanostructured Lipid Carrier: A Potential System for Enhanced Oral Bioavailability of Felodipine, Indian Journal of Pharmaceutical Education and Research, 56(1), 7–85.
  14. Pratama, M.F. and Siswandono, S., 2020, Number of Runs Variations on Autodock 4 Do Not Have a Significant Effect on RMSD from Docking Results, Pharmacy & Pharmacology, 8(6), 476-480.
  15. Shamsudin, N.F., Ahmed, Q.U., Mahmood, S., Shah, S.A.A., Khatib, A., Mukhtar, S., Alsharif, M.A., Parveen, H., and Zakaria, Z.A., 2022, Antibacterial Effects of Flavonoids and Their Structure-Activity Relationship Study: A Comparative Interpretation, Molecules, 27(4).
  16. Sharma, A. and Baldi, A., 2018, Nanostructured Lipid Carriers: A Review Journal, Journal of Developing Drugs, 7(2), 1–12.
  17. Sukardiman, Widyawaruyanti, A., Widyowati, R., Sismindari, and Zaini, N.C., 2014, Pinostrobin Isolated from Kaempferia pandurata Roxb Induced Apoptosis in T47D Human Breast Cancer Cell Line, E-Journal Planta Husada, 2(1), 20–26.
  18. Tej, KVMS., Moin, A., Gowda, D.V., Karunakar, G., Patel, N.P., Kamal, S.S., 2016, Nano Structured Lipid Carrier Based Drug Delivery System, Journal of Chemical and Pharmaceutical Research, 8(2), 627–643.
  19. Tenchov, R., Bird, R., Curtze, A,E., and Zhou, Q., 2021, Lipid Nanoparticles from Liposomes to mRNA Vaccine Delivery, a Landscape of Research Diversity and Advancement, ACS Nano, 15(11), 16982-17015.
  20. Vieira, APBF., Silva, N. de F., Brasil, D. do S.B. , Silva Junior, J.O.C., Costa, R.M.R., 2020, Computational Simulation of Nanostructured Lipid Carrier Containing Lipids from Cupuassu (Theobroma grandiflorum) Seed Fat: Design, Interaction and Molecular Dynamic Study, Research, Society and Development, 9(11).
  21. Widiyana, A.P., Putra, G.S., Muchlashi, L.A., Sulistyowaty, M.I., Budiati, T., 2016, Design and Molecular Docking Studies of Quinazoline Derivatives as Antiproliferation, Jurnal Farmasi Dan Ilmu Kefarmasian Indonesia, 3(2), 44–48
  22. Widiyana, A.P., 2021, Desain Komputasi dari Turunan Senyawa Kuinazolin-4(3H)-on sebagai Inhibitor Siklooksigenase-2 (COX-2), Jurnal Farmasi Sains dan Praktis, 7(2), 2579–4558.