Computational Drug Design Approaches for the Identification of Novel Antidiabetic Compounds from Natural Resources through Molecular Docking, ADMET, and Toxicological Studies

Javeed, N., & Matveyenko, A. V. (2018). Circadian etiology of type 2 diabetes mellitus. Physiology, 33, 138–150

Article  PubMed  PubMed Central  CAS  Google Scholar 

Frankel, D. S., Wilson, P. W. & Meigs, J. B. (2010). Diabetes mellitus and cardiovascular disease. Atlas of atherosclerosis and metabolic syndrome (pp. 227–252).

Findling, R. L., Landersdorfer, C. B., Kafantaris, V., Pavuluri, M., McNamara, N. K., & McClellan, J., et al. (2010). First-dose pharmacokinetics of lithium carbonate in children and adolescents. Journal of Clinical Psychopharmacology, 30, 404–410

Article  PubMed  PubMed Central  CAS  Google Scholar 

Association, A. D. (2009). Diabetes and employment. Diabetes Care, 32, S80

Article  Google Scholar 

Makrilakis, K. (2019). The role of DPP-4 inhibitors in the treatment algorithm of type 2 diabetes mellitus: When to select, what to expect. International Journal of Environmental Research and Public Health, 16, 2720

Article  PubMed  PubMed Central  CAS  Google Scholar 

Olokoba, A. B., Obateru, O. A., & Olokoba, L. B. (2012). Type 2 diabetes mellitus: A review of current trends. Oman Medical Journal, 27, 269

Article  PubMed  PubMed Central  CAS  Google Scholar 

Zheng, Y., Ley, S. H., & Hu, F. B. (2018). Global aetiology and epidemiology of type 2 diabetes mellitus and its complications. Nature Reviews Endocrinology, 14, 88–98

Article  PubMed  Google Scholar 

Moore, K. B., & Saudek, C. D. (2008). Therapeutic potential of dipeptidyl peptidase-IV inhibitors in patients with diabetes mellitus. American Journal of Therapeutics, 15, 484–491

Article  PubMed  Google Scholar 

Barnett, A. (2006). DPP‐4 inhibitors and their potential role in the management of type 2 diabetes. International Journal of Clinical Practice, 60, 1454–1470

Article  PubMed  CAS  Google Scholar 

Celi, F. S., & Shuldiner, A. R. (2002). The role of peroxisome proliferator-activated receptor gamma in diabetes and obesity. Current Diabetes Reports, 2, 179–185

Article  PubMed  Google Scholar 

Vazquez, M., Silvestre, J., & Prous, J. (2002). Experimental approaches to study PPAR gamma agonists as antidiabetic drugs,. Methods and Finding Experimental Clinical Pharmacology, 24, 515–523

Article  CAS  Google Scholar 

Bermudez, V., Finol, F., Parra, N., Parra, M., Pérez, A., & Penaranda, L., et al. (2010). PPAR-γ agonists and their role in type 2 diabetes mellitus management. American Journal of Therapeutics, 17, 274–283

Article  PubMed  Google Scholar 

Janani, C., & Kumari, B. R. (2015). PPAR gamma gene–a review,. Diabetes & Metabolic Syndrome: Clinical Research & Reviews, 9, 46–50

Article  CAS  Google Scholar 

Lebovitz, H. E. (2019). Thiazolidinediones: The forgotten diabetes medications. Current Diabetes Reports, 19, 151

Article  PubMed  PubMed Central  Google Scholar 

Kim, H.-I., & Ahn, Y.-H. (2004). Role of peroxisome proliferator-activated receptor-γ in the glucose-sensing apparatus of liver and β-cells. Diabetes, 53, S60–S65

Article  PubMed  CAS  Google Scholar 

Larsen, T., Toubro, S., & Astrup, A. (2003). PPARgamma agonists in the treatment of type II diabetes: is increased fatness commensurate with long-term efficacy? International Journal of Obesity, 27, 147–161

Article  PubMed  CAS  Google Scholar 

Shen, J., Xu, X., Cheng, F., Liu, H., Luo, X., & Shen, J., et al. (2003). Virtual screening on natural products for discovering active compounds and target information. Current Medicinal Chemistry, 10, 2327–2342

Article  PubMed  CAS  Google Scholar 

Nuzul Hakimi Wan SALLEH, W. M., Kassim, H. & Tawang, A. (2021). Volatile components and biological activities of Pulicaria essential oils. A review. Rivista Italiana delle Sostanze Grasse, 98, 49–58

Fawzy, G. A., Al Ati, H. Y., & El Gamal, A. A. (2013). Chemical composition and biological evaluation of essential oils of Pulicaria jaubertii. Pharmacognosy Magazine, 9, 28.

Article  PubMed  PubMed Central  CAS  Google Scholar 

Al-Maqtari, Q. A., Mahdi, A. A., Al‑Ansi, W., Mohammed, J. K., Wei, M., & Yao, W. (2021). Evaluation of bioactive compounds and antibacterial activity of Pulicaria jaubertii extract obtained by supercritical and conventional methods. Journal of Food Measurement and Characterization, 15, 449–456.

Article  Google Scholar 

Algabr, M., Al-Hajj, N., Jaber, A., Alshotobi, A., Al-suryhi, S., & Whaban, G., et al. (2016). Antibacterial and antifungal activities of the essential oil of Pulicaria jaubertii leaves. Der Pharma Chemica, 8, 224–8

CAS  Google Scholar 

Mentouri, R. (2010). Antioxydant activities from the aerial parts of Pulicaria jaubertii. Advances in Natural and Applied Sciences, 4, 63–70

Google Scholar 

Mohammed, H. A., Abdelwahab, M. F., El-Ghaly, E.-S. M., & Ragab, E. A. (2021). Phytochemical characterization, in vitro anti-inflammatory, anti-diabetic, and cytotoxic activities of the edible aromatic plant; Pulicaria jaubertii. Molecules, 26, 203

Article  PubMed  PubMed Central  CAS  Google Scholar 

El-Ghaly, E.-S. M., Shaheen, U., Ragab, E., El-Hila, A. A. & Abd-Allah, M. R. (2016) Bioactive constituents of Pulicaria jaubertii: A promising antihypertensive activity, Pharmacognosy Journal, 8

Ragab, E. A., & Raafat, M. (2016). A new monoterpene glucoside and complete assignments of dihydroflavonols of Pulicaria jaubertii: Potential cytotoxic and blood pressure lowering activity. Natural Product Research, 30, 1280–1288

Article  PubMed  CAS  Google Scholar 

Ma, D.-L., Chan, D. S.-H., & Leung, C.-H. (2013). Drug repositioning by structure-based virtual screening. Chemical Society Reviews, 42, 2130–2141

Article  PubMed  CAS  Google Scholar 

Prieto-Martínez, F. D., López-López, E., Juárez-Mercado, K. E. & Medina-Franco, J. L. (2019). Computational drug design methods—current and future perspectives, In silico drug design (pp. 19–44). Elsevier

Nolte, R. T., Wisely, G. B., Westin, S., Cobb, J. E., Lambert, M. H., & Kurokawa, R., et al. (1998). Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-γ. Nature, 395, 137–143

Article  PubMed  CAS  Google Scholar 

Kawsar, S. M., Kumer, A., Munia, N. S., Hosen, M. A., Chakma, U., & Akash, S. (2022). Chemical descriptors, PASS, molecular docking, molecular dynamics and ADMET predictions of glucopyranoside derivatives as inhibitors to bacteria and fungi growth. Organic Communications, 15, 203

Google Scholar 

Studio, D. (2008). Discovery studio. Accelrys [2.1], 420

Konc, J., & Janežič, D. (2010). ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment,. Bioinformatics, 26, 1160–1168

Article  PubMed  PubMed Central  CAS  Google Scholar 

Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., & Gindulyte, A., et al. (2016). PubChem substance and compound databases. Nucleic Acids Research, 44, D1202–D1213

Article  PubMed  CAS  Google Scholar 

Klein, F. M. (1995). Computer software reviews. CS ChemDraw Pro, version 3.1 for windows. Journal of Chemical Information and Computer Sciences, 35, 166–167

Article  CAS  Google Scholar 

Mendelsohn, L. D. (2004). ChemDraw 8 ultra, windows and macintosh versions. Journal of Chemical Information and Computer Sciences, 44, 2225–2226

Article  CAS  Google Scholar 

Yulianto, M. E., Yuniastuti, A., Rohdiana, D., Paramita, V., Ariyanto, H. D., & Amalia, R., et al. (2022). Characterization in silico of bioactive compound in tea plant as a potentials inhibitor of SARS-CoV-2 Mpro. Journal of Applied Pharmaceutical Science, 12, 076–085

CAS  Google Scholar 

Akash, S., Bayıl, I., Hossain, M. S., Islam, M. R., Hosen, M. E., & Mekonnen, A. B., et al. (2023). Novel computational and drug design strategies for inhibition of human papillomavirus-associated cervical cancer and DNA polymerase theta receptor by Apigenin derivatives. Scientific Reports, 13, 16565

Article  PubMed  PubMed Central  CAS  Google Scholar 

O’Boyle, N. M., Banck, M., James, C. A., Morley, C., Vandermeersch, T., & Hutchison, G. R. (2011). Open Babel: An open chemical toolbox. Journal of Cheminformatics, 3, 1–14

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, 42717

Article  PubMed 

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