In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease
Curcumin can interact with a variety of molecules implicated in a wide range of disorders. It can also hinder dengue virus’s (DENV’s) ability to infect cells. This work used computational analysis to identify and forecast the most potent curcumin analogs against the DENV NS2B/NS3 protease. In this s...
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| Format: | Article |
| Language: | English English |
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World Scientific Publishing Co Pte Ltd
2023
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| Online Access: | http://umpir.ump.edu.my/id/eprint/38177/ http://umpir.ump.edu.my/id/eprint/38177/1/In-silico%20design%20of%20curcumin%20analogs%20as%20potential%20inhibitors%20of%20dengue%20virus%20NS2B.pdf http://umpir.ump.edu.my/id/eprint/38177/2/In-silico%20Design%20of%20Curcumin%20Analogs%20as%20Potential%20Inhibitors.pdf |
| _version_ | 1848825440989347840 |
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| author | Roney, Miah Huq, A. K. M. Moyeenul Mohd Fadhlizil Fasihi, Mohd Aluwi Saiful Nizam, Tajuddin |
| author_facet | Roney, Miah Huq, A. K. M. Moyeenul Mohd Fadhlizil Fasihi, Mohd Aluwi Saiful Nizam, Tajuddin |
| author_sort | Roney, Miah |
| building | UMP Institutional Repository |
| collection | Online Access |
| description | Curcumin can interact with a variety of molecules implicated in a wide range of disorders. It can also hinder dengue virus’s (DENV’s) ability to infect cells. This work used computational analysis to identify and forecast the most potent curcumin analogs against the DENV NS2B/NS3 protease. In this study, curcumin-like compounds were screened using a rational in-silico study, with the least similarity score, docking analysis, and then additional screening for suitable pharmacokinetic properties. According to the findings, DB11672 has been identified as the primary inhibitor of DENV NS2B/NS3 protease. It is recommended that additional research be done on this antiviral property of the lead compound as a part of the process of finding and developing a new drug against DENV. |
| first_indexed | 2025-11-15T03:28:58Z |
| format | Article |
| id | ump-38177 |
| institution | Universiti Malaysia Pahang |
| institution_category | Local University |
| language | English English |
| last_indexed | 2025-11-15T03:28:58Z |
| publishDate | 2023 |
| publisher | World Scientific Publishing Co Pte Ltd |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | ump-381772023-08-01T02:55:17Z http://umpir.ump.edu.my/id/eprint/38177/ In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease Roney, Miah Huq, A. K. M. Moyeenul Mohd Fadhlizil Fasihi, Mohd Aluwi Saiful Nizam, Tajuddin Q Science (General) RA Public aspects of medicine Curcumin can interact with a variety of molecules implicated in a wide range of disorders. It can also hinder dengue virus’s (DENV’s) ability to infect cells. This work used computational analysis to identify and forecast the most potent curcumin analogs against the DENV NS2B/NS3 protease. In this study, curcumin-like compounds were screened using a rational in-silico study, with the least similarity score, docking analysis, and then additional screening for suitable pharmacokinetic properties. According to the findings, DB11672 has been identified as the primary inhibitor of DENV NS2B/NS3 protease. It is recommended that additional research be done on this antiviral property of the lead compound as a part of the process of finding and developing a new drug against DENV. World Scientific Publishing Co Pte Ltd 2023 Article PeerReviewed pdf en http://umpir.ump.edu.my/id/eprint/38177/1/In-silico%20design%20of%20curcumin%20analogs%20as%20potential%20inhibitors%20of%20dengue%20virus%20NS2B.pdf pdf en http://umpir.ump.edu.my/id/eprint/38177/2/In-silico%20Design%20of%20Curcumin%20Analogs%20as%20Potential%20Inhibitors.pdf Roney, Miah and Huq, A. K. M. Moyeenul and Mohd Fadhlizil Fasihi, Mohd Aluwi and Saiful Nizam, Tajuddin (2023) In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease. Journal of Computational Biophysics and Chemistry. pp. 1-9. ISSN 2737-4173. (In Press / Online First) (In Press / Online First) https://doi.org/10.1142/S2737416523500321 https://doi.org/10.1142/S2737416523500321 |
| spellingShingle | Q Science (General) RA Public aspects of medicine Roney, Miah Huq, A. K. M. Moyeenul Mohd Fadhlizil Fasihi, Mohd Aluwi Saiful Nizam, Tajuddin In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease |
| title | In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease |
| title_full | In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease |
| title_fullStr | In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease |
| title_full_unstemmed | In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease |
| title_short | In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease |
| title_sort | in-silico design of curcumin analogs as potential inhibitors of dengue virus ns2b/ns3 protease |
| topic | Q Science (General) RA Public aspects of medicine |
| url | http://umpir.ump.edu.my/id/eprint/38177/ http://umpir.ump.edu.my/id/eprint/38177/ http://umpir.ump.edu.my/id/eprint/38177/ http://umpir.ump.edu.my/id/eprint/38177/1/In-silico%20design%20of%20curcumin%20analogs%20as%20potential%20inhibitors%20of%20dengue%20virus%20NS2B.pdf http://umpir.ump.edu.my/id/eprint/38177/2/In-silico%20Design%20of%20Curcumin%20Analogs%20as%20Potential%20Inhibitors.pdf |