WJPR Citation New

  All Since 2019
 Citation  7475  4312
 h-index  28  21
 i10-index  197  83

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 :
Dr. Dhrubo Jyoti Sen
Download Article: Click Here

Search

Track Your Article

Abstract

DFT CALCULATIONS AND INSILICO DRUG ACTIVITY PREDICTIONS FOR THE BIOACTIVE CONSTITUENT PRESENT IN TEPHROSIA PURPUREA ROOTS

G.Valli, M.Anusuya & R.Perlina

Abstract

The bioactive constituents isolated from ethanol extract of Tephrosia purpurea roots like Pongamol, Purpurin, Purpurintenin, Rotenone, Tephrosin were taken for our study. DFT calculations for the determination of binding energy were carried out by using the Gaussian software. DFT were performed at B3LYP and HF methods using three basis set like STO-3G, 3-21G, 6-31G. Insilico drug activities of the above constituents were also predicted using the PASS prediction method. The DFT calculations of binding energy showed that Tephrosin was found to be more stable among the selected five compounds. PASS prediction result showed that these five compounds were found to exhibit various pharmacological activities like Respiratory analeptic, H1F1A expression inhibitor and Antineoplastic activities in the range of 77-99%.

Keywords: Tephrosia purpurea, DFT, B3LYP, HF and PASS.


[Full Text Article]  [Download Certificate]

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