INTERNATIONAL JOURNAL OF SCIENTIFIC DEVELOPMENT AND RESEARCH International Peer Reviewed & Refereed Journals, Open Access Journal ISSN Approved Journal No: 2455-2631 | Impact factor: 8.15 | ESTD Year: 2016
open access , Peer-reviewed, and Refereed Journals, Impact factor 8.15
Molecular Docking Studies of Antirrhinum majus-derived Compounds for CNS Stimulant Activity: Insights into Ligand-Receptor Interactions and Potential Therapeutic Candidates
Authors Name:
MOHD. ZEESHAN
, DR. RAKESH KUMAR GAWALY , DR. UDIT NARAYAN SONI , DR. KAVITA R, LOKSH
Unique Id:
IJSDR2312088
Published In:
Volume 8 Issue 12, December-2023
Abstract:
Antirrhinum majus, also known as snapdragon, is a medicinal plant that has a long history of traditional use for an array of therapeutic purposes. Molecular docking studies have gained significance as an indispensable tool for predicting the binding interactions between compounds and target proteins. This research employs molecular docking studies to explore the CNS stimulant activity of compounds derived from Antirrhinum majus. The investigation focuses on their interactions with the DAT receptor (PDB code: 4M48), which is known to play a significant role in CNS stimulant activity. The main objective was to investigate the binding affinities of the phytoconstituents and identify the particular amino acid residues involved in the biochemical interactions at the binding site. The top 5 hits exhibited binding affinities from -10.9 to -8.8 kcal/mol. Notably, the designed compounds demonstrated favorable biochemical interactions with the target protein, establishing strong hydrogen bonding with Arg476, Asp475, and Ala117, along with pi bonding with Tyr124 and Phe325. These findings provide critical insights into the potential of these inhibitors as promising candidates for modulating neuronal activities in the context of CNS stimulant activity.
"Molecular Docking Studies of Antirrhinum majus-derived Compounds for CNS Stimulant Activity: Insights into Ligand-Receptor Interactions and Potential Therapeutic Candidates", International Journal of Science & Engineering Development Research (www.ijsdr.org), ISSN:2455-2631, Vol.8, Issue 12, page no.671 - 678, December-2023, Available :http://www.ijsdr.org/papers/IJSDR2312088.pdf
Downloads:
000340271
Publication Details:
Published Paper ID: IJSDR2312088
Registration ID:209317
Published In: Volume 8 Issue 12, December-2023
DOI (Digital Object Identifier):
Page No: 671 - 678
Publisher: IJSDR | www.ijsdr.org
ISSN Number: 2455-2631
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