Sourav Das, PhD
Sourav Das, PhD
Senior Scientist, Cheminformatics, St. Jude Children's Research Hospital
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Spectinamides: a new class of semisynthetic antituberculosis agents that overcome native drug efflux
RE Lee, JG Hurdle, J Liu, DF Bruhn, T Matt, MS Scherman, PK Vaddady, ...
Nature medicine 20 (2), 152-158, 2014
Binding affinity prediction with property-encoded shape distribution signatures
S Das, MP Krein, CM Breneman
Journal of chemical information and modeling 50 (2), 298-308, 2010
Rapid comparison of protein binding site surfaces with property encoded shape distributions
S Das, A Kokardekar, CM Breneman
Journal of chemical information and modeling 49 (12), 2863-2872, 2009
Phenyl‐Glutarimides: Alternative Cereblon Binders for the Design of PROTACs
J Min, A Mayasundari, F Keramatnia, B Jonchere, SW Yang, J Jarusiewicz, ...
Angewandte Chemie International Edition 60 (51), 26663-26670, 2021
Identification of potent, selective, and orally bioavailable small-molecule GSPT1/2 degraders from a focused library of cereblon modulators
G Nishiguchi, F Keramatnia, J Min, Y Chang, B Jonchere, S Das, M Actis, ...
Journal of medicinal chemistry 64 (11), 7296-7311, 2021
Current trends in virtual high throughput screening using ligand-based and structure-based methods
N Sukumar, S Das
Combinatorial chemistry & high throughput screening 14 (10), 872-888, 2011
Targeting histone demethylases in MYC-driven neuroblastomas with ciclopirox
J Yang, S Milasta, D Hu, AM AlTahan, RB Interiano, J Zhou, J Davidson, ...
Cancer research 77 (17), 4626-4638, 2017
Structure–activity relationships of spectinamide antituberculosis agents: a dissection of ribosomal inhibition and native efflux avoidance contributions
J Liu, DF Bruhn, RB Lee, Z Zheng, T Janusic, D Scherbakov, ...
ACS infectious diseases 3 (1), 72-88, 2017
ABCG2 requires a single aromatic amino acid to “clamp” substrates and inhibitors into the binding pocket
T Gose, T Shafi, Y Fukuda, S Das, Y Wang, A Allcock, AG McHarg, ...
FASEB journal: official publication of the Federation of American Societies …, 2020
Bromodomain-selective BET inhibitors are potent antitumor agents against MYC-driven pediatric cancer
PJ Slavish, L Chi, MK Yun, L Tsurkan, NE Martinez, B Jonchere, SC Chai, ...
Cancer research 80 (17), 3507-3518, 2020
PESDserv: a server for high-throughput comparison of protein binding site surfaces
S Das, MP Krein, CM Breneman
Bioinformatics 26 (15), 1913-1914, 2010
Novel vitexin-inspired scaffold against leukemia
T Ling, W Lang, X Feng, S Das, J Maier, C Jeffries, A Shelat, F Rivas
European Journal of Medicinal Chemistry 146, 501-510, 2018
Synthesis of bi-substrate state mimics of dihydropteroate synthase as potential inhibitors and molecular probes
J Qi, KG Virga, S Das, Y Zhao, MK Yun, SW White, RE Lee
Bioorganic & medicinal chemistry 19 (3), 1298-1305, 2011
Small molecule sequestration of the intrinsically disordered protein, p27Kip1, within soluble oligomers
LI Iconaru, S Das, A Nourse, AA Shelat, J Zuo, RW Kriwacki
Journal of molecular biology 433 (18), 167120, 2021
Mechanisms of Resistance Associated with the Inhibition of the Dehydration Step of Type II Fatty Acid Synthase in Mycobacterium tuberculosis
AE Grzegorzewicz, C Gee, S Das, J Liu, JM Belardinelli, V Jones, ...
ACS infectious diseases 6 (2), 195-204, 2019
Composition for reduction of trpa1 and trpv1 sensations
JC Haught, K Sreekrishna, S Das, IISH HOKE, TW Coffindaffer, KA Bakes, ...
US Patent App. 13/873,749, 2013
Development of a pterin-based fluorescent probe for screening dihydropteroate synthase
Y Zhao, D Hammoudeh, W Lin, S Das, MK Yun, Z Li, E Griffith, T Chen, ...
Bioconjugate Chemistry 22 (10), 2110-2117, 2011
Evaluating and evolving a screening library in academia: the St Jude approach
G Nishiguchi, S Das, J Ochoada, H Long, RE Lee, Z Rankovic, AA Shelat
Drug discovery today 26 (4), 1060-1069, 2021
Synthesis and evaluation of colletoic acid core derivatives
T Ling, LN Gautam, E Griffith, S Das, W Lang, WR Shadrick, A Shelat, ...
European Journal of Medicinal Chemistry 110, 126-132, 2016
17-DMAG dually inhibits Hsp90 and histone lysine demethylases in alveolar rhabdomyosarcoma
S Singh, A Abu-Zaid, W Lin, J Low, A Abdolvahabi, H Jin, Q Wu, B Cooke, ...
Iscience 24 (1), 2021
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