Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds

The atomic resolution model of US9, UL20, and gH protein of HSV is known. Hence, the ligand protein interaction of the US9, UL20, and gH protein models were carried out with synthetic drugs like acyclovir, bexarotene, vinorelbine, foscarnet, famciclovir, cidofovir and two plant derived natural drug...

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Detalles Bibliográficos
Autores principales: Krishna, Ram, Ajmal Ali, Mohammad, Lee, Joongku
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10625359/
https://www.ncbi.nlm.nih.gov/pubmed/37928488
http://dx.doi.org/10.6026/97320630019981
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author Krishna, Ram
Ajmal Ali, Mohammad
Lee, Joongku
author_facet Krishna, Ram
Ajmal Ali, Mohammad
Lee, Joongku
author_sort Krishna, Ram
collection PubMed
description The atomic resolution model of US9, UL20, and gH protein of HSV is known. Hence, the ligand protein interaction of the US9, UL20, and gH protein models were carried out with synthetic drugs like acyclovir, bexarotene, vinorelbine, foscarnet, famciclovir, cidofovir and two plant derived natural drug acacetin and anthraquinone. Based on structure and docking study, it is predicted that protein US20 and gH binds with particular anti-HSV drug i.e. acyclovir, cidofovir, acacetin and famciclovir, acacetin respectively, while interaction of different protein is different with drugs.
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spelling pubmed-106253592023-11-05 Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds Krishna, Ram Ajmal Ali, Mohammad Lee, Joongku Bioinformation Research Article The atomic resolution model of US9, UL20, and gH protein of HSV is known. Hence, the ligand protein interaction of the US9, UL20, and gH protein models were carried out with synthetic drugs like acyclovir, bexarotene, vinorelbine, foscarnet, famciclovir, cidofovir and two plant derived natural drug acacetin and anthraquinone. Based on structure and docking study, it is predicted that protein US20 and gH binds with particular anti-HSV drug i.e. acyclovir, cidofovir, acacetin and famciclovir, acacetin respectively, while interaction of different protein is different with drugs. Biomedical Informatics 2023-09-30 /pmc/articles/PMC10625359/ /pubmed/37928488 http://dx.doi.org/10.6026/97320630019981 Text en © 2023 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Krishna, Ram
Ajmal Ali, Mohammad
Lee, Joongku
Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds
title Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds
title_full Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds
title_fullStr Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds
title_full_unstemmed Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds
title_short Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds
title_sort molecular docking analysis of hsv-1 proteins models with synthetic and plant derived compounds
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10625359/
https://www.ncbi.nlm.nih.gov/pubmed/37928488
http://dx.doi.org/10.6026/97320630019981
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