WJPR Citation New

  All Since 2011
 Citation  2903  2393
 h-index  27  24
 i10-index  68  60

Login

Best Paper Awards

World Journal of Pharmaceutical Research (WJPR) will give best paper award in every issue in the form of money along with certificate to promote research activity of scholar.
            Best Paper Award :

Download Article: Click Here

Search

Track Your Article

Abstract

ANTIBACTERIAL ACTIVITY OF CERAMIDES BY MOLECULAR DOCKING METHOD

Danni Ramdhani*, Sri Agung Fitri Kusuma

Abstract

Objective: Molecular docking has become a reliable virtual screening method in the search for compounds that have activity against specific receptors. This study was to determine the mechanism of interaction between ceramides compounds from Cissus incisa against receptors associated with antibacterial activity. This study used 3 target receptors associated with antibacterial activity: Penicillin Binding protein 3 (PBP3), N-myristoyltransferase (NMT), and Cytochrome P450 14 alpha-sterol Demethylase (CYP51). The molecular interactions of ceramides were compared with the native ligands at the active site of the receptor. Materials and Methods: Ligand files and target receptors are obtained by downloading at https://pubchem.ncbi.nlm.nih.gov/ and https://www.rcsb.org/. The docking process begins with ligand and receptor preparations using Pyrx software, MgTool, then molecular docking processes and visualization of interactions with AutoDock Vina and Discovery Studio Visualizer. Results: The ceramides ligand binding activity score with PBP3 is -5.4 kcal/mol; -4.3 kcal/mol with CYP51, and -4.2 kcal/mol with NMT. Conclusions: The binding activity data from molecular docking concluded that the ceramides compound had less dominant antibacterial activity at the three receptors compared to each native ligand.

Keywords: molecular docking, antibacterial, ceramides, PBP3, NMT, CYP51.


[Full Text Article]

Call for Paper

World Journal of Pharmaceutical Research (WJPR)
Read More

Email & SMS Alert

World Journal of Pharmaceutical Research (WJPR)
Read More

Article Statistics

World Journal of Pharmaceutical Research (WJPR)
Read More

Online Submission

World Journal of Pharmaceutical Research (WJPR)
Read More