| Submission to first decision
(The average time from manuscript submission to desk rejection, direct rejection/acceptance or assignment to the first editor) Note: For manuscripts that fully comply with the journal template. However, this timeframe does not apply to manuscripts with formatting or guideline deficiencies. If a manuscript is returned to the authors for corrections, the administrative review process will restart from the re-submission date. |
3 weeks |
|---|---|
| Submission to decision after review (For papers that are sent to review, the average time from submission to receipt of first editor decision) | 6 weeks |
| Submission to final decision (The average time from manuscript submission to the final editorial decision) | 16 weeks |
| Submission to publication (The average time from acceptance to publication. Manuscript published in early view are also included in this calculation) | 24 weeks |
ACTA Pharmaceutica Sciencia
2025 , Vol 63 , Num 2
DFT, molecular docking, and ADMET prediction of compounds from Cinnamomum zeylanicum for dengue inhibitor DEN2 NS2B/NS3 serine protease
1 University of Malaya, Department of Pharmacy, Pekanbaru, IndonesiaDOI : 10.23893/1307-2080.APS6320 Viewed : 3200 - Downloaded : 1084 Dengue, an infectious disease transmitted by Aedes aegypti and Aedes albopictus mosquitoes, is caused by a virus. This study aimed to assess whether compounds isolated from cinnamon (Cinnamomum zeylanicum) possess antidengue properties and whether the bonds formed after docking these compounds are stable. Three compounds from the NADI database were chosen as samples, with panduratin A serving as the positive control. Molecular docking simulations were conducted alongside density functional theory (DFT) studies using Gauss View 5. The docking results indicated that delta-Cadinene (compound 3) exhibited the lowest binding free energy of -4.93 kcal/mol, with a binding factor of 9. According to density functional theory (DFT) calculations, panduratin A, and compound 3 displayed gap values of -0.26 and -0.24, respectively. Thus, compound 3 demonstrates potential as a highly stable inhibitor of dengue DEN2 NS2B/NS3 serine protease. Keywords : Cinnamomum zeylanicum, dengue, DFT, docking, ADMET