Acceptance rate 46%
Time to first decision 20 days*
Time to decision with review 50 days*

*Approximate number of days

**The days mentioned above are averages and do not indicate exact durations. The process may vary for each article.


ACTA Pharmaceutica Sciencia 2017 , Vol 55 , Num 3
Classifying Druggability on Potential Binding Sites of Glycogen Synthase Kinase-3?: An In-Silico Assessment
Navneet Chauhan 1 Anuradha Gajjar 2
1 Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382 481, India
2 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 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

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