کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
506107 864562 2008 12 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Analysis of binding residues between scorpion neurotoxins and D2 dopamine receptor: A computational docking study
موضوعات مرتبط
مهندسی و علوم پایه مهندسی کامپیوتر نرم افزارهای علوم کامپیوتر
پیش نمایش صفحه اول مقاله
Analysis of binding residues between scorpion neurotoxins and D2 dopamine receptor: A computational docking study
چکیده انگلیسی

We report the results on the computation of binding affinity, electrostatic free energies, contact free energies, secondary structures, stabilization centers and stabilizing residues of binding residues during the molecular docking of selected scorpion neurotoxins with D2 dopamine receptor. All the scorpion neurotoxins showed a good and satisfactory docking with the D2 receptor molecule except one neurotoxin 2SN3. We computed multiple alignment studies, solvent accessibility calculations, secondary structure analysis, stabilization centers and stabilizing residues before and after the docking process. Overall, we emphasize that the results obtained in this work will be very helpful in further enhancement of understanding the research on modeling and drug design with respect to the D2 dopamine receptor.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computers in Biology and Medicine - Volume 38, Issue 10, October 2008, Pages 1056–1067
نویسندگان
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