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
IN SILICO ANALYSIS OF SELECTED COMPOUNDS USING PASS, SWISSADME AND MOLINSPIRATION
Authors Name:
V.Sundara Prabha
, I. Ajitha , S.Beschi Antony Rayan
Unique Id:
IJSDR2208075
Published In:
Volume 7 Issue 8, August-2022
Abstract:
The last few decades have seen many pandemic outbreaks of diseases like COVID-19 that need to be fought by a he approach involving modern trends in the drug designing process. The discovery of novel drugs will help us to combat this apart from prevention by vaccination and safety precautions. Building a database of potential candidate drugs will help to develop a drug on a fast track. In this study, five phytochemical compounds (Lycorine, Luteolin, Emodin, Herbacetin and Isobavachalcone) were selected based on the earlier literature available. These compounds were subjected to PASS prediction and the bioactivities of these compounds were screened based on their Pa & Pi values (stimulating activity and inhibitory activity). ADMET studies were done using SwissADME software and the results were discussed. All five compounds were found to be satisfying Lipinski’s rule of five. The Molecular properties analysis such as m Log P, nOHNH, nON, number of violations, and TPSA showed good results as predicted by Molinspiration software. This study brings out the importance of natural products and the use of combinatorial methods in the drug development process. Their physical properties, ADMET analysis and bioactive prediction revealed the importance of the selected compounds to be used to fight against many diseases. uristic
Keywords:
SwissADME, PASS, Molinspiration, nOHNH, nON.
Cite Article:
"IN SILICO ANALYSIS OF SELECTED COMPOUNDS USING PASS, SWISSADME AND MOLINSPIRATION", International Journal of Science & Engineering Development Research (www.ijsdr.org), ISSN:2455-2631, Vol.7, Issue 8, page no.542 - 546, August-2022, Available :http://www.ijsdr.org/papers/IJSDR2208075.pdf
Downloads:
000337078
Publication Details:
Published Paper ID: IJSDR2208075
Registration ID:201282
Published In: Volume 7 Issue 8, August-2022
DOI (Digital Object Identifier):
Page No: 542 - 546
Publisher: IJSDR | www.ijsdr.org
ISSN Number: 2455-2631
Facebook Twitter Instagram LinkedIn