Sankalp Jain

Supervisor: Ecker Gerhard
Project: Structure and Ligand based approaches to target the two ABC-transporter BSEP and MDR3


Mandatory Courses Completed Successfully
SubjectECTS pointsDate
VU Computational Drug Design (Course Nr. 050081 , winterterm 2015)302/2016
VO Pharmacoinformatics (Course Nr. 320022 , summerterm 2016)106/2016
PR Pharmacoinformatics Practical Course (Course Nr. 320023 , summerterm 2016)106/2016
SE Ion channels and transporters as drug targets (Course Nr. 320019 , summerterm 2016)206/2016
PR Drug Design Practical Course (Course Nr. 050029 , summerterm 2016)608/2016
MolTag Journal Club, Medical University of Vienna...01/2017


Conference Poster Presentations
Subject/TitleConference/PlaceDate
Comparative structural modeling of human BSEP and Structure based classification for BSEP/ABCB11 Inhibitors Tenth European Workshop in Drug Design, Certosa di Pontignano, Siena, Italy05/2015
Comparative structural modeling of human BSEP and Structure based classification for BSEP/ABCB11 Inhibitors 8th SFB35 Symposium 2015, Vienna09/2015
Structure based classification for BSEP/ABCB11 Inhibitors using comparative structural modeling of human BSEP24th Scientific Congress of the Austrian Pharmaceutical Society, Vienna09/2015
Ligand binding site comparison of human, mouse and rat P-glycoprotein transpoeter9th SFB35 Symposium 2016, Vienna09/2016
Interspecies comparison of ligand binding sites of the human, mouse and rat P-glycoprotein transporters21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship, Verona, Italy 09/2016
Interspecies comparison of ligand binding sites of the human, mouse and rat P-glycoprotein transportersMolTag Science Day, Vienna, AUS11/2016
"Structure Based Classification for Bile Salt Export Pump (BSEP) Inhibitors by Comparative Structural Modeling of Human BSEP"Gordon Research Conference at Galveston/TX, USA03/2017


Lab Rotations Completed Successfully
HostHost institutionSubjectDate of completion
Univ.Prof.Dr. Thierry LangerDept of Pharmaceutical Chemistry, Univ. of ViennaDevelopment of Knime nodes/additional functionality in knime for dynamic pharmacophores in ligandScout05/2017


Courses and Enabling Skills Seminars
SubjectDate
BioSolveIT Workshop (Introduction to SeeSAR, a software tool for structure based design) 05/2017


Publications in Peer Reviewed Journals
TitleJournal/VolumeDate
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEPJournal of Computer-Aided Molecular Design, Volume 31, Issue 6, pp 507?521, doi: 10.1007/s10822-017-0021-x06/2017