The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Caffeoylquinic acids as inhibitors for HIV-I protease and HIV-I Integrase. A Molecular docking study
Open accessAbstract
Caffeoylquinic acids are ubiquitous phenolic compounds with several health benefits to humans and they have been shown to be promisinganti-HIV compounds.In this work, molecular docking was used to study the inhibition of HIV-I integrase and protease using caffeoylquinic acids.It was possible to establish that the naturally occurring caffeoylquinic acids are not suitable as inhibitors for protease but are very good inhibitors for integrase.A new binding site was found for 3, 4-O-di-Caffeoylquinic acid between the chains of HIV-I integrase that could possibly lead to a disruption of the catalytic process of HIV-I integrase.
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Lee, W. J., & Zhu, B. T. (2006) · Carcinogenesis · doi:10.1093/carcin/bgi206 · Cited by 372
McDougall, B., King, P. J., Wu, B. W., Hostomsky, Z., Reinecke, M. G., & Robinson, W. E. (1998) · Antimicrobial Agents and Chemotherapy · doi:10.1128/aac.42.1.140 · Cited by 210
Metadata
- Authors
- Serina, J. J. C., Castilho, P. C., Fernandes, M. X., & Desk, S.
- Affiliations
- Centro de Química da Madeira (PT)
- Corresponding author
- Paula C. Castilho
- Venue
- SDRP Journal of Computational Chemistry & Molecular Modelling
- Publisher
- Sift Desk
- Published
- 2017
- Volume
- 1
- Issue
- 2
- ISSN
- 2473-6260 (ISSN-L)
- OpenAlex
- W2340728857
- Cited by
- 8
- References
- 2
- Citations by year
- 2024: 1 · 2023: 1 · 2022: 1 · 2021: 1 · 2020: 3 · 2018: 1
- FWCI
- 0.82
- Type
- journal article
- Language
- en
- Open access
- diamond
- doi.org
- Licence
- other-oa
- Locations
- SDRP Journal of Computational Chemistry & Molecular Modelling (publishedVersion, other-oa)
- Portuguese National Funding Agency for Science, Research and Technology (RCAAP Project by FCT) (submittedVersion, cc-by-nc-nd)
- Funders
- Fundação para a Ciência e a Tecnologia
- Topics
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Health Sciences › Medicine › Infectious Diseases › HIV/AIDS drug development and treatment
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Interaction Studies and Fluorescence Analysis
- Keywords
- caffeoylquinic acids, HIV-1 protease, HIV-1 integrase, enzyme inhibitors, anti-HIV compounds, phenolic compounds, binding sites
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- The paper
- Serina, J. J. C., Castilho, P. C., Fernandes, M. X., & Desk, S. (2017). Caffeoylquinic acids as inhibitors for HIV-I protease and HIV-I Integrase. A Molecular docking study. SDRP Journal of Computational Chemistry & Molecular Modelling. https://doi.org/10.25177/jccmm.1.2.1
