作者
Syed MD Rizvi, Shahnawaz Shakil, Deboshree Biswas, Shazi Shakil, Sibhghatulla Shaikh, Paramdeep Bagga, Mohammad A Kamal
发表日期
2014/4/1
期刊
CNS & Neurological Disorders-Drug Targets (Formerly Current Drug Targets-CNS & Neurological Disorders)
卷号
13
期号
3
页码范围
447-451
出版商
Bentham Science Publishers
简介
Acetylcholinesterase (AChE) is a primary target for Alzheimer’s therapy while recently sodium glucose cotransporter 2 (SGLT2) has gained importance as a potential target for Type 2 Diabetes Mellitus (T2DM) therapy. The present study emphasizes the molecular interactions between a new Food and Drug Administration (FDA) approved antidiabetic drug ‘Invokana’ (chemically known as Canagliflozin) with AChE and SGLT2 to establish a link between the treatment of T2DM and Alzheimer’s Disease (AD). Docking study was performed using ‘Autodock4.2’. Both hydrophobic and π-π interactions play an important role in the correct positioning of Canagliflozin within SGLT2 and catalytic site (CAS) of AChE to permit docking. Free energy of binding (δG) for ‘Canagliflozin-SGLT2’ interaction and ‘Canagliflozin - CAS domain of AChE’ interaction were found to be -10.03 kcal/mol and -9.40 kcal/mol, respectively. During …
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