Virtually selected phytochemicals from edible seeds as possible potential medicaments for hypercholesterolemia: an in silico approach

References

• Adhikari, N., Amin, S., & Jha, T. (2020). Dissecting the drug development strategies against SARS-CoV-2 through diverse computational modeling techniques. In Silico Modeling of Drugs against Coronaviruses, 329–431. https://doi.org/10.1007/7653_2020_46
   Google Scholar
• Akinnusi, P. A., Olubode, S. O., Alade, A. A., Ahmed, S. A., Ayekolu, S. F., Ogunlade, T. M., Gbore, D. J., Rotimi, O. D., & Ayodele, A. O. (2022). A molecular modeling approach for structure-based virtual screening and identification of novel anti-hypercholesterolemic agents from Grape. Informatics in Medicine Unlocked, 32, 101065. https://doi.org/10.1016/j.imu.2022.101065
   Google Scholar
• Allaoui, A., Barranquero, C., Yahia, S., Herrera-Marcos, L. V., Benomar, S., Jridi, M., Navarro, M. Á., Rodriguez-Yoldi, M. J., Nasri, M., Osada, J., & Boualga, A. (2018). Fenugreek proteins and their hydrolysates prevent hypercholesterolemia and enhance the HDL antioxidant properties in rats. Nutrition & Food Science, 48(6), 973–989. https://doi.org/10.1108/NFS-02-2018-0062
   Web of Science ®Google Scholar
• Behar, A., Dennouni-Medjati, N., Harek, Y., Dali-Sahi, M., Belhadj, M., & Meziane, F. Z. (2020). Selenium overexposure induces insulin resistance: in silico study. Diabetes & Metabolic Syndrome, 14(6), 1651–1657. https://doi.org/10.1016/j.dsx.2020.08.005
   PubMed Web of Science ®Google Scholar
• Borrel, A., & Fourches, D. (2017). Reality convert: A tool for preparing 3D models of biochemical structures for augmented and virtual reality. Bioinformatics (Oxford, England), 33(23), 3816–3818. https://doi.org/10.1093/bioinformatics/btx485
   PubMed Web of Science ®Google Scholar
• Bundela, S., Sharma, A., & Bisen, P. S. (2015). Potential compounds for oral cancer treatment: Resveratrol, nimbolide, lovastatin, bortezomib, vorinostat, berberine, pterostilbene, deguelin, andrographolide, and colchicine. PloS One, 10(11), e0141719. https://doi.org/10.1371/journal.pone.0141719
   PubMed Web of Science ®Google Scholar
• Charan, J., Riyad, P., Ram, H., Purohit, A., Ambwani, S., Kashyap, P., Singh, G., Hashem, A., Abd Allah, E. F., Gupta, V. K., Kumar, A., & Panwar, A. (2022). Ameliorations in dyslipidemia and atherosclerotic plaque by the inhibition of HMG-CoA reductase and antioxidant potential of phytoconstituents of an aqueous seed extract of Acacia senegal (L.) Willd in rabbits. PloS One, 17(3), e0264646. https://doi.org/10.1371/journal.pone.0264646
   PubMed Web of Science ®Google Scholar
• Cheurfa, M., Abdallah, H. H., Allem, R., Noui, A., Picot-Allain, C. M. N., & Mahomoodally, F. (2019). Hypocholesterolaemic and antioxidant properties of Olea europaea L. leaves from Chlef province, Algeria using in vitro, in vivo and in silico approaches. Food and Chemical Toxicology: An International Journal Published for the British Industrial Biological Research Association, 123, 98–105. https://doi.org/10.1016/j.fct.2018.10.002
   PubMed Web of Science ®Google Scholar
• Chikhale, R. V., Sinha, S. K., Patil, R. B., Prasad, S. K., Shakya, A., Gurav, N., Prasad, R., Dhaswadikar, S. R., Wanjari, M., & Gurav, S. S. (2021). In-silico investigation of phytochemicals from Asparagus racemosus as plausible antiviral agent in COVID-19. Journal of Biomolecular Structure and Dynamics, 39(14), 5033–5047. https://doi.org/10.1080/07391102.2020.1784289
   PubMed Web of Science ®Google Scholar
• Chimento, A., Casaburi, I., Avena, P., Trotta, F., De Luca, A., Rago, V., Pezzi, V., & Sirianni, R. (2018). Cholesterol and its metabolites in tumor growth: Therapeutic potential of statins in cancer treatment. Frontiers in Endocrinology, 9, 807. https://doi.org/10.3389/fendo.2018.00807
   PubMed Web of Science ®Google Scholar
• Daina, A., Michielin, O., & Zoete, V. (2017). SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Reports, 7(1), 42717. https://doi.org/10.1038/srep42717
   PubMed Web of Science ®Google Scholar
• Dey, P., Sarkar, I., Dutta, S., Saha, M. R., & Chaudhuri, T. K. (2019). Correlative metabolomic fingerprinting and molecular docking studies of dermatological phytotherapeutics of South-Eastern Himalaya. Journal of Traditional and Complementary Medicine, 9(4), 243–248. https://doi.org/10.1016/j.jtcme.2018.08.001
   PubMedGoogle Scholar
• Draganescu, D., Andritoiu, C., Hritcu, D., Dodi, G., & Popa, M. I. (2021). Flaxseed lignans and polyphenols enhanced activity in streptozotocin-induced diabetic rats. Biology, 10(1), 43. https://doi.org/10.3390/biology10010043
   PubMedGoogle Scholar
• Dutta, K., Elmezayen, A. D., Al-Obaidi, A., Zhu, W., Morozova, O. V., Shityakov, S., & Khalifa, I. (2021). Seq12, Seq12m, and Seq13m, peptide analogues of the spike glycoprotein shows antiviral properties against SARS-CoV-2: An in silico study through molecular docking, molecular dynamics simulation, and MM-PB/GBSA calculations. Journal of Molecular Structure, 1246, 131113. https://doi.org/10.1016/j.molstruc.2021.131113
   PubMed Web of Science ®Google Scholar
• Hanel, A., & Carlberg, C. (2020). Vitamin D and evolution: Pharmacologic implications. Biochemical Pharmacology, 173, 113595. https://doi.org/10.1016/j.bcp.2019.07.024
   PubMed Web of Science ®Google Scholar
• Hilton-Jones, D. (2018). Statin-related myopathies. Practical Neurology, 18(2), 97–105. http://dx.doi.org/10.1136/practneurol-2017-001738
   PubMedGoogle Scholar
• Iqbal, M. J., Butt, M. S., Qayyum, M. M. N., & Suleria, H., A. R. (2017). Anti-hypercholesterolemic and anti-hyperglycaemic effects of conventional and supercritical extracts of black cumin (Nigella sativa). Asian Pacific Journal of Tropical Biomedicine, 7(11), 1014–1022. https://doi.org/10.1016/j.apjtb.2017.10.005
   Web of Science ®Google Scholar
• Istvan, E. (2003). Statin inhibition of HMG-CoA reductase: A 3-dimensional view. Atherosclerosis. Supplements, 4(1), 3–8. https://doi.org/10.1016/S1567-5688(03)00003-5
   PubMed Web of Science ®Google Scholar
• Istvan, E. S. (2002). Structural mechanism for statin inhibition of 3-hydroxy-3-methylglutaryl coenzyme A reductase. American Heart Journal, 144(6 Suppl), S27–S32. https://doi.org/10.1067/mhj.2002.130300
   PubMed Web of Science ®Google Scholar
• Kai, N. S., Nee, T. A., Ling, E. L. C., Ping, T. C., Kamariah, L., & Lin, N. K. (2015). Anti–hypercholesterolemic effect of kenaf (Hibiscus cannabinus L.) seed on high–fat diet Sprague Dawley rats. Asian Pacific Journal of Tropical Medicine, 8(1), 6–13. https://doi.org/10.1016/S1995-7645(14)60179-6
   PubMed Web of Science ®Google Scholar
• Kasiske, B. L., O'Donnell, M. P., Schmitz, P. G., Kim, Y., Keane, W. F., Daniels, F., & Holden, G. (1990). Renal injury of diet-induced hypercholesterolemia in rats. Kidney International, 37(3), 880–891. https://doi.org/10.1038/ki.1990.62
   PubMed Web of Science ®Google Scholar
• Khalil, A. A., Khalid, A., Khalid, H., Aslam, A., Shahid, Q. A., Hlebová, M., Rebezov, M., Derkho, M., & Shariati, M. A. (2021). Utilization of microwave assisted black cumin seed extract as hypocholesterolemic agent in Albino rats. Journal of Microbiology, Biotechnology and Food Sciences, 10(4), 536–540. https://doi.org/10.15414/jmbfs.2021.10.4.536-540
   Web of Science ®Google Scholar
• Leitzmann, C. (2016). Characteristics and health benefits of phytochemicals. Forschende Komplementarmedizin (2006), 23(2), 69–74. https://doi.org/10.1159/000444063
   PubMedGoogle Scholar
• Leon, B. M., & Maddox, T. M. (2015). Diabetes and cardiovascular disease: Epidemiology, biological mechanisms, treatment recommendations and future research. World Journal of Diabetes, 6(13), 1246–1258. https://doi.org/10.4239/wjd.v6.i13.1246
   PubMed Web of Science ®Google Scholar
• Masoudi, N., Tabarrai, M., Niktabe, Z., & Dehghan, S. (2018). Antitumor effects of flaxseed in Iranian traditional medicine and contemporary medicine; A brief review. Research Journal of Pharmacognosy, 5(1), 71–77. https://www.sid.ir/paper/336805/en
   Web of Science ®Google Scholar
• Mishra, S., & Dahima, R. (2019). In vitro ADME studies of TUG-891, a GPR-120 inhibitor using SWISS ADME predictor. Journal of Drug Delivery and Therapeutics, 9(2-s), 366–369. https://doi.org/10.22270/jddt.v9i2-s.2710
   Google Scholar
• Mohanraj, K., Karthikeyan, B. S., Vivek-Ananth, R. P., Chand, R. B., Aparna, S. R., Mangalapandi, P., & Samal, A. (2018). IMPPAT: A curated database of Indian medicinal plants, phytochemistry and therapeutics. Scientific Reports, 8(1), 1–17. https://doi.org/10.1038/s41598-018-22631-z
   PubMed Web of Science ®Google Scholar
• Morris, G. M., Huey, R., Lindstrom, W., Sanner, M. F., Belew, R. K., Goodsell, D. S., & Olson, A. J. (2009). AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of Computational Chemistry, 30(16), 2785–2791. https://doi.org/10.1002/jcc.21256
   PubMed Web of Science ®Google Scholar
• Muegge, I., Heald, S. L., & Brittelli, D. (2001). Simple selection criteria for drug-like chemical matter. Journal of Medicinal Chemistry, 44(12), 1841–1846. https://doi.org/10.1021/jm015507e
   PubMed Web of Science ®Google Scholar
• Muhammad, A., Katsayal, B. S., Forcados, G. E., Malami, I., Abubakar, I. B., Kandi, A. I., Idris, A. M., Yusuf, S., Musa, S. M., Monday, N., & Umar, Z.-W S. (2020). In silico predictions on the possible mechanism of action of selected bioactive compounds against breast cancer. In Silico Pharmacology, 8(1), 4–13. https://doi.org/10.1007/s40203-020-00057-8
   PubMedGoogle Scholar
• Pahua-Ramos, M. E., Ortiz-Moreno, A., Chamorro-Cevallos, G., Hernández-Navarro, M. D., Garduño-Siciliano, L., Necoechea-Mondragón, H., & Hernández-Ortega, M. (2012). Hypolipidemic effect of avocado (Persea americana Mill) seed in a hypercholesterolemic mouse model. Plant Foods for Human Nutrition (Dordrecht, Netherlands), 67(1), 10–16. https://doi.org/10.1007/s11130-012-0280-6
   PubMed Web of Science ®Google Scholar
• Palla, A. H., Gilani, A. U. H., Bashir, S., & Ur Rehman, N. (2020). Multiple mechanisms of flaxseed: Effectiveness in inflammatory bowel disease. Evidence-Based Complementary and Alternative Medicine, 2020, 7974835. https://doi.org/10.1155/2020/7974835
   PubMed Web of Science ®Google Scholar
• Parikh, M., Netticadan, T., & Pierce, G. N. (2018). Flaxseed: Its bioactive components and their cardiovascular benefits. American Journal of Physiology. Heart and Circulatory Physiology, 314(2), H146–H159. https://doi.org/10.1152/ajpheart.00400.2017
   PubMed Web of Science ®Google Scholar
• Ram, H., Jaipal, N., Charan, J., Kashyap, P., Kumar, S., Tripathi, R., Singh, B. P., Siddaiah, C. N., Hashem, A., Tabassum, B., & Abd Allah, E. F. (2020). Phytoconstituents of an ethanolic pod extract of Prosopis cineraria triggers the inhibition of HMG-CoA reductase and the regression of atherosclerotic plaque in hypercholesterolemic rabbits. Lipids in Health and Disease, 19(1), 6–11. https://doi.org/10.1186/s12944-020-1188-z
   PubMed Web of Science ®Google Scholar
• Roberts, D. J., & Hall, R. I. (2013). Drug absorption, distribution, metabolism and excretion considerations in critically ill adults. Expert Opinion on Drug Metabolism & Toxicology, 9(9), 1067–1084. https://doi.org/10.1517/17425255.2013.799137
   PubMed Web of Science ®Google Scholar
• Salas-Salvadó, J., Bulló, M., Pérez-Heras, A., & Ros, E. (2006). Dietary fibre, nuts and cardiovascular diseases. British Journal of Nutrition, 96(S2), S45–S51. https://doi.org/10.1017/BJN20061863
   Google Scholar
• Son, K. H., Lee, J. Y., Lee, J. S., Kang, S. S., Sohn, H. Y., & Kwon, C. S. (2018). Screening of flavonoid compounds with HMG-CoA reductase inhibitory activities. Journal of Life Science, 28(2), 247–256. https://doi.org/10.5352/JLS.2018.28.2.247
   Google Scholar
• Tall, A. R., & Yvan-Charvet, L. (2015). Cholesterol, inflammation and innate immunity. Nature Reviews. Immunology, 15(2), 104–116. https://doi.org/10.1038/nri3793
   PubMed Web of Science ®Google Scholar
• Tiwari, B.K., Brunton, N.P. and Brennan, C. (Eds.). (2013). Handbook of plant food phytochemicals: Sources, stability and extraction. John Wiley & Sons.
   Google Scholar
• Trott, O., & Olson, A. J. (2010). AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry, 31(2), 455–461. https://doi.org/10.1002/jcc.21334
   PubMed Web of Science ®Google Scholar
• Upadhyay, R. K. (2017). Tulsi: A holy plant with high medicinal and therapeutic value. International Journal of Green Pharmacy (IJGP), 11(01) https://doi.org/10.22377/IJGP.V11I01.869
   Google Scholar
• Vallejo-Vaz, A. J., Robertson, M., Catapano, A. L., Watts, G. F., Kastelein, J. J., Packard, C. J., Ford, I., & Ray, K. K. (2017). Cholesterol lowering for the primary prevention of cardiovascular disease among men with primary elevations of LDL-cholesterol levels of 190 mg/dL or above: Analyses from the WOSCOPS 5-year randomised trial and 20-year observational follow-up. (136), 1878–1891. https://doi.org/10.1161/CIRCULATIONAHA.117.027966
   Google Scholar
• Vallianou, I., Peroulis, N., Pantazis, P., & Hadzopoulou-Cladaras, M. (2011). Camphene, a plant-derived monoterpene, reduces plasma cholesterol and triglycerides in hyperlipidemic rats independently of HMG-CoA reductase activity. PLoS One, 6(11), e20516. https://doi.org/10.1371/journal.pone.0020516
   PubMed Web of Science ®Google Scholar
• Velu, G., Palanichamy, V., & Rajan, A. P. (2018). Phytochemical and pharmacological importance of plant secondary metabolites in modern medicine. Bioorganic Phase in Natural Food: An Overview, 135–156. https://doi.org/10.1007/978-3-319-74210-6_8
   Google Scholar
• Wang, R., Lai, L., & Wang, S. (2002). Further development and validation of empirical scoring functions for structure-based binding affinity prediction. Journal of Computer-Aided Molecular Design, 16(1), 11–26. https://doi.org/10.1023/a:1016357811882
   PubMed Web of Science ®Google Scholar
• Zhao, Y., & Chen, Z. Y. (2018). Roles of spicy foods and their bioactive compounds in management of hypercholesterolemia. Journal of Agricultural and Food Chemistry, 66(33), 8662–8671. https://doi.org/10.1021/jf801566r
   PubMed Web of Science ®Google Scholar