Výsledky vyhledávání - "Deepangi Pandit"

Mapping of discontinuous conformational epitopes by amide hydrogen/deuterium exchange mass spectrometry and computational docking

Autor: Stephen J. Coales, Anita Liu, Sook Yen E, Jessica E. Lee, Deepangi Pandit, Jeffrey A. Morrow, Yoshitomo Hamuro, Jennifer F. Nemeth, Steven J. Tuske

Publikováno v: Journal of Molecular Recognition. 25:114-124

Understanding antigen-antibody interactions at the sub-molecular level is of particular interest for scientific, regulatory, and intellectual property reasons, especially with increasing demand for monoclonal antibody therapeutic agents. Although var

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4ce2b2c1518c760214066a96254361d5
https://doi.org/10.1002/jmr.1169

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Conformational analysis of piperazine and piperidine analogs of GBR 12909: stochastic approach to evaluating the effects of force fields and solvent

Autor: Kathleen M. Gilbert, William Roosma, Deepangi Pandit, Milind Misra, Carol A. Venanzi, William J. Skawinski

Publikováno v: Journal of Molecular Modeling. 17:181-200

Analogs of the flexible dopamine reuptake inhibitor, GBR 12909 (1), may have potential utility in the treatment of cocaine abuse. As a first step in the 3D-QSAR modeling of the dopamine transporter (DAT)/serotonin transporter (SERT) selectivity of th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::194b86b8d64544885ab90dc83fba70b2
https://doi.org/10.1007/s00894-010-0712-x

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Identification and Characterization of Ambroxol as an Enzyme Enhancement Agent for Gaucher Disease

Autor: G. Kornhaber, Brigitte Rigat, Michael B. Tropak, Deepangi Pandit, Liangiie Tang, Gustavo Maegawa, Maria Fuller, Justin D. Buttner, Yoshitomo Hamuro, Joe T.R. Clarke, Don J. Mahuran

Publikováno v: Journal of Biological Chemistry. 284:23502-23516

Gaucher disease (GD), the most prevalent lysosomal storage disease, is caused by a deficiency of glucocerebrosidase (GCase). The identification of small molecules acting as agents for enzyme enhancement therapy is an attractive approach for treating

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88a279672d869266e51f6bd850551cb2
https://doi.org/10.1074/jbc.m109.012393

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Singular value decomposition of torsional angles of analogs of the dopamine reuptake inhibitor GBR 12909

Autor: R.A. Dios, Anna Fiorentino, Kathleen M. Gilbert, Deepangi Pandit, Milind Misra, Carol A. Venanzi

Publikováno v: Journal of Computational Chemistry. 27:609-620

Analysis of large, flexible molecules, such as the dopamine reuptake inhibitor GBR 12909 (1), is complicated by the fact that they can take on a wide range of closely related conformations. The first step in the analysis is to classify the conformers

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b85adba478f5a665f82406b74830db2
https://doi.org/10.1002/jcc.20371

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Mapping of discontinuous conformational epitopes by amide hydrogen/deuterium exchange mass spectrometry and computational docking

Autor: Deepangi, Pandit, Steven J, Tuske, Stephen J, Coales, Sook Yen, E, Anita, Liu, Jessica E, Lee, Jeffrey A, Morrow, Jennifer F, Nemeth, Yoshitomo, Hamuro

Publikováno v: Journal of molecular recognition : JMR. 25(3)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::33bfdbc0d03da85936db724ab57b27bb
https://pubmed.ncbi.nlm.nih.gov/22407975

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Singular value decomposition analysis of the torsional angles of dopamine reuptake inhibitor GBR 12909 analogs: effect of force field and charges

Autor: Supreet Bindra, Carol A. Venanzi, Anna Fiorentino, Deepangi Pandit

Publikováno v: Journal of molecular modeling. 17(6)

Three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis of large, flexible molecules, such as the dopamine reuptake inhibitor GBR 12909 (1), is complicated by the fact that they can take on a wide range of closely-related co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::949a29d1145126faefca3dcc308919f4
https://pubmed.ncbi.nlm.nih.gov/20839021

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Enhancing Specificity and Sensitivity of Pharmacophore-Based Virtual Screening by Incorporating Chemical and Shape Features — A Case Study of HIV Protease Inhibitors

Autor: Hongmao Sun, Deepangi Pandit, Sung-Sau So

Publikováno v: ChemInform. 37

Virtual screening (VS), if applied appropriately, could significantly shorten the hit identification and hit-to-lead processes in drug discovery. Recently, the version of VS that is based upon similarity to a pharmacophore has received increased atte

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f68c43fb7a7a3f1eb1a35ab45673327
https://doi.org/10.1002/chin.200630235

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