Evaluation of Medicinal Effects of Isoxazole Ring Isosteres on Zonisamide for Autism Treatment by Binding to Potassium Voltage-Gated Channel Subfamily D Member 2 (Kv 4.2)

سال انتشار: 1399
نوع سند: مقاله ژورنالی
زبان: انگلیسی
مشاهده: 307

فایل این مقاله در 11 صفحه با فرمت PDF قابل دریافت می باشد

استخراج به نرم افزارهای پژوهشی:

لینک ثابت به این مقاله:

شناسه ملی سند علمی:

JR_AJCS-3-4_008

تاریخ نمایه سازی: 26 خرداد 1399

چکیده مقاله:

The present research study discusses discovery of the novel drugs based on Zonisamide (FDA-approved drug) to treat the autism disease. We designed novel compounds by changing the pyrazole ring of the molecular structure with its isosteric rings. The main goal of the present study is evaluation of isosterism effect on Zonisamide compound. The studied pyrazole isosters are isothiazole, [c] azaphosphole, [d] azaphosphole, oxaphosphole, thiaphosphole and diphosphole. First, all designed molecular structures were optimized using density functional theory (DFT) computational method by B3LYP/6-311++G(d,p) basis set of theory. All the computations were performed in isolated form at room temperature. Then, making complex of all optimized molecular structures with A-type potassium voltage gated subfamily d member 2 (Kv 4.2) was studied. The ligand-receptor complexes energy data showed all designed molecules except (1H-indazol-3-yl)methanesulfonamide interct with channel weakly. The residues Phe 75, Asp 86, Phe 84, and Phe 74 played main role in making complex with (1H-indazol-3-yl)methanesulfonamide. However, the ADME and biological properties of the designed molecules were carried out using swissADME and FAF-Drugs4 web tools. Based on the ligand-channel complexes docking data and biochemical properties of the compounds, the pyrazole pentet ring is a suitable isostere for isoxazole ring in Zonisamide.

نویسندگان

Mehdi Nabati

Research and Development Department, Shari Pharmaceutical Company, Tehran, Iran

Vida Bodaghi-Namileh

Department of Toxicology and Pharmacology, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran

مراجع و منابع این مقاله:

لیست زیر مراجع و منابع استفاده شده در این مقاله را نمایش می دهد. این مراجع به صورت کاملا ماشینی و بر اساس هوش مصنوعی استخراج شده اند و لذا ممکن است دارای اشکالاتی باشند که به مرور زمان دقت استخراج این محتوا افزایش می یابد. مراجعی که مقالات مربوط به آنها در سیویلیکا نمایه شده و پیدا شده اند، به خود مقاله لینک شده اند :
  • S.I. Ueno, S. Saiki, M. Fujimaki, H. Takeshige-Amano, T. Hatano, ...
  • S.Y. Kwan, Y.C. Chuang, C.W. Huang, T.C. Chen, S.B. Jou, ...
  • F. Brigo, S. Lattanzi, S.C. Igwe, M. Behzadifar, N.L. Bragazzi, ...
  • A. Reimers, H. Ljung, Expert. Opin. Pharmacother., 2019, 20, 909–915. ...
  • M. Maschio, L. Dinapoli, A. Zarabla, A. Maialetti, D. Giannarelli, ...
  • A. Romigi, E.A. Femia, C. Fattore, G. Vitrani, G. Di ...
  • A. Schulze-Bonhage, Expert. Rev. Neurother., 2015, 15, 857–865. ...
  • M. Murata, T. Odawara, K. Hasegawa, S. Iiyama, M. Nakamura, ...
  • K. Ikeda, M. Yanagihashi, K. Miura, Y. Ishikawa, T. Hirayama, ...
  • S. Matsunaga, T. Kishi, N. Iwata, J. Alzheimers. Dis., 2017, ...
  • Y. Fang, F. Mao, M. Zhu, X. Li, Medicine (Baltimore), ...
  • M. Hirayama, T. Minato, T. Maeda, T. Nakamura, M. Katsuno, ...
  • H. Iwaki, M. Tagawa, K. Iwasaki, K. Kawakami, M. Nomoto, ...
  • M. Nabati, Iran. J. Org. Chem., 2018, 10, 2291–2299. ...
  • M. Nabati, Iran. J. Org. Chem., 2018, 10, 2409–2416. ...
  • J.C. Martínez-Ávila, A. García Bartolomé, I. García, I, Dapía, H.Y. ...
  • A.A. Wilfong, J.L. Jr Holder, Expert. Opin. Pharmacother., 2011, 12, ...
  • L. Guglielmi, I. Servettini, M. Caramia, L. Catacuzzeno, F. Franciolini, ...
  • M. Nabati, V. Bodaghi-Namileh, Int. J. New. Chem., 2019, 6, ...
  • M. Nabati, J. Med. Chem. Sci., 2020, 3, 22–34. ...
  • M. Nabati, Chem. Methodol., 2018, 2, 223v238. ...
  • M. Nabati, Iran. Chem. Commun., 2019, 7, 324–334. ...
  • M. Nabati, H. Sabahnoo, J. Med. Chem. Sci., 2019, 2, ...
  • M. Nabati, M. Kermanian, H. Mohammadnejad-Mehrabani, H.R. Kafshboran, M. Mehmannavaz, ...
  • M. Nabati, Asian J. Green Chem., 2019, 3, 258–270. ...
  • M. Nabati, J. Phys. Theor. Chem. IAU Iran, 2017, 14, ...
  • M. Nabati, Chem. Methodol., 2017, 1, 121–135. ...
  • M. Nabati, J. Phys. Theor. Chem. IAU Iran, 2017, 14, ...
  • M. Nabati, H. Sabahnoo, E. Lohrasbi, M. Mazidi, Chem. Methodol., ...
  • M. Nabati, V. Bodaghi-Namileh, Adv. J. Chem. A, 2020, 3, ...
  • M. Nabati, E. Lohrasbi, H. Sabahnoo, V. Bodaghi-Namileh, M. Mazidi, ...
  • M. Nabati, V. Bodaghi-Namileh, Iran. Chem. Commun., 2020, 8, 73–58. ...
  • M. Nabati, V. Bodaghi-Namileh, Iran. J. Org. Chem., 2019, 11, ...
  • D. Mandal, R. Maity, H. Beg, G. Salgado-Moran, A. Misra, ...
  • R. Meenakshi, J. Mol. Struct., 2017, 1127, 694–707. ...
  • نمایش کامل مراجع