| 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
2017 , Vol 55 , Num 3
Classifying Druggability on Potential Binding Sites of Glycogen Synthase Kinase-3?: An In-Silico Assessment
1 Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382 481, India2 Department of Pharmaceutical Chemistry and Analysis, Ramanbhai Patel College of Pharmacy, Charotar University of Science and Technology, Changa 388 421, India
DOI : 10.23893/1307-2080.APS.05518 Viewed : 18783 - Downloaded : 12456 Putative binding sites of glycogen synthase kinase-3? (GSK-3?) have been identified by various computational methods; however, the druggability of these pockets is still unknown. Herein, we assessed a dataset of 24 Protein Data Bank (PDB) crystal structures of GSK-3? using SiteMap to compute the druggability of each identified site. The binding sites were assessed with two site-scoring functions known as the Druggability score (Dscore) and SiteScore (SScore) within SiteMap. An average of eight surface pockets were identified, of which pocket 1 (orthosteric site) and pocket 7 (allosteric site) exhibited ligand-binding characteristics, as analyzed by SiteScore. We further analyzed the druggability of each site with Dscore; pocket 1 proved to be a druggable site, and pocket 7 failed to meet the druggability criteria. The quantitative pocket properties of site 7 were further evaluated to identify plausible reasons for classification as a ?difficult? site. In conclusion, these results accurately classified binding sites of GSK-3?. Keywords : Allosteric sites, Binding sites; Druggability; Glycogen synthase kinase- 3; In silico