In silico identification of potential inhibitors with higher potency than bumetanide targeting NKCC1: An important ion co-transporter to treat neurological disorders

In silico identification of potential inhibitors with higher potency than bumetanide targeting NKCC1: An important ion co-transporter to treat neurological disorders

Na + -K + -2Cl-cotransporter 1 (NKCC1) plays an important role in intracellular ionic homeostasis and cell volume regulation in the brain. Pathological activation of brain NKCC1 is associated with many brain disorders, including ischemic stroke, traumatic brain injury, epilepsy, neonatal seizure and...

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Main Authors: Arpita Singha Roy, Md Sad Salabi Sawrav, Md Shahadat Hossain, Fatema Tuz Johura, Sk. Faisal Ahmed, Ithmam Hami, Md Kobirul Islam, Hasan Al Reza, Mohammad Iqbal H. Bhuiyan, Newaz Mohammed Bahadur, Md Mizanur Rahaman
Format: article
Language:EN
Published: Elsevier 2021
Subjects:
NKCC1
CNS Compound library
In silico Screening
ADMET
MD simulation
Loop diuretics
Computer applications to medicine. Medical informatics
R858-859.7
Online Access:https://doaj.org/article/6dbfcef71e5f44a6a6a914e6b7603b54
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https://doaj.org/article/6dbfcef71e5f44a6a6a914e6b7603b54

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