1,2Nagpur College of Pharmacy, Wanadongri, Hingna Road, Nagpur -441110, India
3Priyadarshini J. L. College of Pharmacy, Hingna Road, Nagpur – 441110, India
4Dept. of Biochemistry Datta Meghe Medical College, Nagpur-441110, India
5Dept. of Microbiology Jawaharlal Nehru Medical College, Datta Meghe Institute of Medical Sciences Sawangi (Meghe) Wardha 442001,India
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Article Publishing History
Accepted After Revision: 06/06/2021
We planned to design a potent Selective serotonin reuptake inhibitor(SSRI) using insilico techniques which may be used as Anti-depressant activity.. In this current study we have chosen Pyrano[2,3-c] pyrazoles as the parent moiety along with several derivatives. These will acts as ligand molecules for computational protocols. The crystalline structure of Selective serotonin reuptake inhibitor was downloaded from protein database and the pdb code was 4MM8. This will act as target for computational studies. Virtual screening library of derivatives determining by Pyrx software. Molecular docking of potent derivatives were carried using autodock software X:Y:Z (50:26:40). Molinspiration’s online property calculator and Protox II’s structural property calculator were used to quantify certain insilico properties, as well as acute oral toxicity. Derivatization of the parent moiety in the molecule is needed to increase its biological potential. The research discovered the best molecule with potent antidepressant action. The ligand molecule was found to be both safe and effective against selective serotonin reuptake inhibitors. The LD50 was estimated to be 100 mg/kg. Other in-silico properties were calculated as well.
Anti-Depressant, Selective Serotonin Reuptake Inhibitor, Pyrx Software, Autodock Software.