ISSN 2394-5125
 

Research Article 


ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS

K.Sangeetha, S. Sharmila, D. Sharmila.

Abstract
Background: Zika virus is an arbovirus belongs to the genus flavivirus and pose a serious global threat. The recent 2015 outbreak in brazil was associated with a significant increase in microcepahly cases & other neurological complications in new born babies and WHO declared ZIKA to be an international public health emergency. Currently there is no specific treatment or Vaccine available for the Zika virus and thus due to the unavailability of the antiviral drugs, the need for the identification of novel drugs are paramount.
Methodology: Qunatum –chemical parameters(DFT) and ADMET was performed to identify the drug-likeliness properties.
Results: Among the tested Compounds, galloylquinic acid, Bacopaside III and Bacopaside A were identified as leads against multiple targets of ZIKA virus. The identified compounds also exhibited desirable quantum chemical and ADMET Properties.
Conclusion: Hence the compounds hampering the active site of the three different proteins playing prime role in replication and fusion with desirable pharmacokinetics properties could be suggested for further in vitro and in vivo analysis of ZIKA virus.

Key words: ZIKA virus, Molecular Docking, DFT, ADMET


 
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Pubmed Style

K.Sangeetha, S. Sharmila , D. Sharmila. ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS. JCR. 2020; 7(10): 1898-1902. doi:10.31838/jcr.07.10.333


Web Style

K.Sangeetha, S. Sharmila , D. Sharmila. ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS. http://www.jcreview.com/?mno=112554 [Access: August 17, 2021]. doi:10.31838/jcr.07.10.333


AMA (American Medical Association) Style

K.Sangeetha, S. Sharmila , D. Sharmila. ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS. JCR. 2020; 7(10): 1898-1902. doi:10.31838/jcr.07.10.333



Vancouver/ICMJE Style

K.Sangeetha, S. Sharmila , D. Sharmila. ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS. JCR. (2020), [cited August 17, 2021]; 7(10): 1898-1902. doi:10.31838/jcr.07.10.333



Harvard Style

K.Sangeetha, S. Sharmila , D. Sharmila (2020) ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS. JCR, 7 (10), 1898-1902. doi:10.31838/jcr.07.10.333



Turabian Style

K.Sangeetha, S. Sharmila , D. Sharmila. 2020. ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS. Journal of Critical Reviews, 7 (10), 1898-1902. doi:10.31838/jcr.07.10.333



Chicago Style

K.Sangeetha, S. Sharmila , D. Sharmila. "ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS." Journal of Critical Reviews 7 (2020), 1898-1902. doi:10.31838/jcr.07.10.333



MLA (The Modern Language Association) Style

K.Sangeetha, S. Sharmila , D. Sharmila. "ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS." Journal of Critical Reviews 7.10 (2020), 1898-1902. Print. doi:10.31838/jcr.07.10.333



APA (American Psychological Association) Style

K.Sangeetha, S. Sharmila , D. Sharmila (2020) ADMET AND DFT STUDIES OF COMPOUNDS FROM EUPHORBIA HIRTA AND BACOPA MONNIERI TO ZIKA VIRUS STRUCTURAL AND NON STRUCTURAL PROTEINS. Journal of Critical Reviews, 7 (10), 1898-1902. doi:10.31838/jcr.07.10.333