Multispectral and Molecular Docking Studies Reveal Potential Effectiveness of Antidepressant Fluoxetine by Forming π-Acceptor Complexes
Ahmed Gaber,
Walaa F. Alsanie,
Majid Alhomrani,
Abdulhakeem S. Alamri,
Hussain Alyami,
Sonam Shakya,
Hamza Habeeballah,
Heba A. Alkhatabi,
Raed I. Felimban,
Abdulwahab Alamri,
Abdulhameed Abdullah Alhabeeb,
Bassem M. Raafat,
Moamen S. Refat
Affiliations
Ahmed Gaber
Department of Biology, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
Walaa F. Alsanie
Centre of Biomedical Sciences Research (CBSR), Deanship of Scientific Research, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
Majid Alhomrani
Centre of Biomedical Sciences Research (CBSR), Deanship of Scientific Research, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
Abdulhakeem S. Alamri
Centre of Biomedical Sciences Research (CBSR), Deanship of Scientific Research, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
Hussain Alyami
College of Medicine, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
Sonam Shakya
Department of Chemistry, Faculty of Science, Aligarh Muslim University, Aligarh 202002, India
Hamza Habeeballah
Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences in Rabigh, King Abdulaziz University, P.O. Box 80203, Jeddah 21589, Saudi Arabia
Heba A. Alkhatabi
Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Abdulaziz University, P.O. Box 80203, Jeddah 21589, Saudi Arabia
Raed I. Felimban
Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Abdulaziz University, P.O. Box 80203, Jeddah 21589, Saudi Arabia
Abdulwahab Alamri
Department of Pharmacology and Toxicology, College of Pharmacy, University of Hail, P.O. Box 2240, Hail 55476, Saudi Arabia
Abdulhameed Abdullah Alhabeeb
National Centre for Mental Health Promotion, P.O. Box 95459, Riyadh 11525, Saudi Arabia
Bassem M. Raafat
Department of Radiological Sciences, College of Applied Medical Sciences, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
Moamen S. Refat
Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
Poor mood, lack of pleasure, reduced focus, remorse, unpleasant thoughts, and sleep difficulties are all symptoms of depression. The only approved treatment for children and adolescents with major depressive disorder (MDD) is fluoxetine hydrochloride (FXN), a serotonin selective reuptake inhibitor antidepressant. MDD is the most common cause of disability worldwide. In the present research, picric acid (PA); dinitrobenzene; p-nitro benzoic acid; 2,6-dichloroquinone-4-chloroimide; 2,6-dibromoquinone-4-chloroimide; and 7,7′,8,8′-tetracyanoquinodimethane were used to make 1:1 FXN charge-transfer compounds in solid and liquid forms. The isolated complexes were then characterized by elemental analysis, conductivity, infrared, Raman, and 1H-NMR spectra, thermogravimetric analysis, scanning electron microscopy, and X-ray powder diffraction. Additionally, a molecular docking investigation was conducted on the donor moiety using FXN alone and the resulting charge transfer complex [(FXN)(PA)] as an acceptor to examine the interactions against two protein receptors (serotonin or dopamine). Interestingly, the [(FXN)(PA)] complex binds to both serotonin and dopamine more effectively than the FXN drug alone. Furthermore, [(FXN)(PA)]–serotonin had a greater binding energy than [FXN]–serotonin. Theoretical data were also generated by density functional theory simulations, which aided the molecular geometry investigation and could be beneficial to researchers in the future.
