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Journal of Pharmaceutical care and Health Systems | ISSN: 2376-0419 | Volume 5
Pharmaceutical sciences
11
th
World Congress on
September 28-29, 2018 | Montreal, Canada
In silico pharmacokinetics prediction and druggability assessment of phytochemicals from
Curcuma
Caesia roxb
Mukunthan Kuppusamy Selvam
1,2
and
TN Patel
3
1
Pennsylvania State University College of Medicine, USA
2
Manipal Institute of Technology, India
3
Vellore Institute of Technology, India
A
total of 103x3=309 compounds were taken for the study. They were sieved, and the functional lead was obtained through various
filters. Compound (No 3), the most efficient molecule selected from black turmeric. This compound showed by metabolic
prediction and simplified pharmacophore analysis, a good cancer inhibition potential. In future, it will be worthwhile to check the
pharmaceutical and pharmacokinetic behavior of the compound
in vitro
and
in vivo
. In silico assessment showed that the binding site
of the analyzed candidates is very much identical to the expected site of Peptidyl-prolyl cis-trans isomerase (PIN). The knowledge of
the binding modes with the PIN is likely to help and develop a more potent multi-point inhibitor for cancer. Thus the present study
“will allow the preclinical development studies to be designed and conducted in a timely, cost-effective manner and most likely allow
the candidates to have an early entry” from bench-side to bedside.
J Pharma Care Health Sys 2018, Volume 5
DOI: 10.4172/2376-0419-C3-033