Molecular Docking Study of Various Protein on Clozapine


Authors : Chitra Janardan Chavan; Trushali A Mandhare

Volume/Issue : Volume 9 - 2024, Issue 5 - May

Google Scholar : https://tinyurl.com/4jx9anay

Scribd : https://tinyurl.com/3pndy9n6

DOI : https://doi.org/10.38124/ijisrt/IJISRT24MAY2513

Abstract : The antipsychotic drug Clozapine is widely recognized for its efficacy in treating resistant schizophrenia. This study aims to elucidate the binding interactions of Clozapine with four key proteins: 1GQ1, 1MKF, 4OAJ, and 7WU2. These proteins represent diverse biological targets, including receptors and enzymes relevant to neurological function and drug metabolism. Utilizing molecular docking simulations, we compared the binding affinities and interaction profiles of Clozapine with these proteins.

References :

  1. Albitar, Orwa, et al. "Population pharmacokinetics of clozapine: a systematic review." BioMed research international 2020 (2020).
  2. Jann, Michael W., et al. "Pharmacokinetics and pharmacodynamics of clozapine." Clinical pharmacokinetics 24 (1993): 161-176.
  3. Meltzer, Herbert Y. "An overview of the mechanism of action of clozapine." The journal of clinical psychiatry 55 (1994): 47-52.
  4. Ramírez, David, and Julio Caballero. "Is it reliable to use common molecular docking methods for comparing the binding affinities of enantiomer pairs for their protein  target." International journal of molecular sciences 17.4 (2016): 525.
  5. Olagunju, Andrew T., Scott R. Clark, and Bernhard T. Baune. "Clozapine and psychosocial function in schizophrenia: a systematic review and meta-analysis." CNS drugs 32.11 (2018): 1011-1023.
  6. https://openai.com/share/b5e8170f-5fc2-4cf6-a597-adda4e4f8840

The antipsychotic drug Clozapine is widely recognized for its efficacy in treating resistant schizophrenia. This study aims to elucidate the binding interactions of Clozapine with four key proteins: 1GQ1, 1MKF, 4OAJ, and 7WU2. These proteins represent diverse biological targets, including receptors and enzymes relevant to neurological function and drug metabolism. Utilizing molecular docking simulations, we compared the binding affinities and interaction profiles of Clozapine with these proteins.

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