(A) Number of intra-hydrogen bonds for the 6KZP-native complex (orange colour) and 6KZP-montelukast complex (blue).

(B) The frequency of the number of inter-hydrogen bonds of the 6KZP-montelukast complex (blue) and 6KZP-native complex (orange colour). (C) Number of inter-hydrogen bonds for the 6KZP-montelukast complex. (D) Number of inter-hydrogen...

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Bibliographic Details
Main Author:	Pedro Fong (2378413) (author)
Other Authors:	Susana Roman Garcia (22021790) (author), Melanie I. Stefan (8174304) (author), David C. Sterratt (20691326) (author)
Published:	2025
Subjects:	Biophysics Biochemistry Cell Biology Genetics Molecular Biology Neuroscience Pharmacology Biotechnology Cancer Infectious Diseases Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified type calcium channels suppress neurological diseases simulate molecular docking monte carlo cell gromacs molecular dynamics docking results indicated div >< p central nervous system boltzmann surface area ligand binding modes type calcium channel high binding affinity approved drugs targeting md simulations showed mcell simulations indicated approved drug montelukast binding affinities approved drugs high stability drug administration appropriate drug 1 channel synaptic vesicles synaptic region synaptic cleft silico </ reach synapses pharmacokinetic properties montelukast reduced may reduce literature suggested like properties human blood genetic algorithm epileptic seizures diabetic neuropathy brain barrier appropriate pharmacodynamic
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(A) Number of intra-hydrogen bonds for the 6KZP-native complex (orange colour) and 6KZP-montelukast complex (blue).

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