Search Results - "Salam, Noeris K"

Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis by Salam, Noeris K, Nuti, Roberto, Sherman, Woody

“…We describe a novel method to develop energetically optimized, structure-based pharmacophores for use in rapid in silico screening. The method combines…”
Get full text

Structure-based approach to the prediction of disulfide bonds in proteins by Salam, Noeris K., Adzhigirey, Matvey, Sherman, Woody, Pearlman, David A.

“…Protein engineering remains an area of growing importance in pharmaceutical and biotechnology research. Stabilization of a folded protein conformation is a…”
Get full text

Energetic analysis of fragment docking and application to structure-based pharmacophore hypothesis generation by Loving, Kathryn, Salam, Noeris K., Sherman, Woody

“…We have developed a method that uses energetic analysis of structure-based fragment docking to elucidate key features for molecular recognition. This hybrid…”
Get full text

Contribution of Explicit Solvent Effects to the Binding Affinity of Small-Molecule Inhibitors in Blood Coagulation Factor Serine Proteases by Abel, Robert, Salam, Noeris K., Shelley, John, Farid, Ramy, Friesner, Richard A., Sherman, Woody

“…The prevention of blood coagulation is important in treating thromboembolic disorders, and several serine proteases involved in the coagulation cascade have…”
Get full text

Synthesis and evaluation of M. tuberculosis salicylate synthase (MbtI) inhibitors designed to probe plasticity in the active site by Manos-Turvey, Alexandra, Cergol, Katie M, Salam, Noeris K, Bulloch, Esther M M, Chi, Gamma, Pang, Angel, Britton, Warwick J, West, Nicholas P, Baker, Edward N, Lott, J Shaun, Payne, Richard J

“…Mycobacterium tuberculosis salicylate synthase (MbtI) catalyses the first committed step in the biosynthesis of mycobactin T, an iron-chelating siderophore…”
Get more information

Polyamide-scorpion cyclam lexitropsins selectively bind AT-rich DNA independently of the nature of the coordinated metal by Lo, Anthony T S, Salam, Noeris K, Hibbs, David E, Rutledge, Peter J, Todd, Matthew H

“…Cyclam was attached to 1-, 2- and 3-pyrrole lexitropsins for the first time through a synthetically facile copper-catalyzed "click" reaction. The corresponding…”
Get full text

Class I β-tubulin mutations in 2-methoxyestradiol-resistant acute lymphoblastic leukemia cells: implications for drug-target interactions by Liaw, Tracy Y E, Salam, Noeris K, McKay, Matthew J, Cunningham, Anne M, Hibbs, David E, Kavallaris, Maria

“…2-Methoxyestradiol (2ME2) is a naturally occurring derivative of estradiol that has been shown to be an active small molecule that has antitumor and…”
Get full text

Synthesis, Activity, and Pharmacophore Development for Isatin-β-thiosemicarbazones with Selective Activity toward Multidrug-Resistant Cells by Hall, Matthew D, Salam, Noeris K, Hellawell, Jennifer L, Fales, Henry M, Kensler, Caroline B, Ludwig, Joseph A, Szakács, Gergely, Hibbs, David E, Gottesman, Michael M

“…We have recently identified a new class of compounds that selectively kill cells that express P-glycoprotein (P-gp, MDR1), the ATPase efflux pump that confers…”
Get full text

High resolution crystal structures of human kynurenine aminotransferase‐I bound to PLP cofactor, and in complex with aminooxyacetate by Nadvi, Naveed A., Salam, Noeris K., Park, Joohong, Akladios, Fady N., Kapoor, Vimal, Collyer, Charles A., Gorrell, Mark D., Church, William Bret

“…In this study, we report two high‐resolution structures of the pyridoxal 5′ phosphate (PLP)‐dependent enzyme kynurenine aminotransferase‐I (KAT‐I). One is the…”
Get full text

7-Hydroxy-benzopyran-4-one Derivatives: A Novel Pharmacophore of Peroxisome Proliferator-Activated Receptor α and -γ (PPARα and γ) Dual Agonists by Matin, Azadeh, Gavande, Navnath, Kim, Moon S, Yang, Nancy X, Salam, Noeris K, Hanrahan, Jane R, Roubin, Rebecca H, Hibbs, David E

“…Design, synthesis, and in vitro bioevaluation of a new class of potential dual PPARα and γ agonists discovered through a structure-driven design paradigm are…”
Get full text

On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches by Huang, Dane, Gu, Qiong, Ge, Hu, Ye, Jiming, Salam, Noeris K., Hagler, Arnie, Chen, Hongzhuan, Xu, Jun

“…Human chemokine receptor CXCR3 (hCXCR3) antagonists have potential therapeutic applications as antivirus, antitumor, and anti-inflammatory agents. A novel…”
Get full text

Novel PPAR-gamma Agonists Identified from a Natural Product Library: A Virtual Screening, Induced-Fit Docking and Biological Assay Study by Salam, Noeris K, Huang, Tom H.W, Kota, Bhavani P, Kim, Moon S, Li, Yuhao, Hibbs, David E

“…Peroxisome proliferator-activated receptor-gamma (PPAR-gamma) plays an essential role in lipid and glucose homeostasis. It is recognized as the receptor of the…”
Get full text

A benchmark server using high resolution protein structure data, and benchmark results for membrane helix predictions by Rath, Emma M, Tessier, Dominique, Campbell, Alexander A, Lee, Hong Ching, Werner, Tim, Salam, Noeris K, Lee, Lawrence K, Church, W Bret

“…Helical membrane proteins are vital for the interaction of cells with their environment. Predicting the location of membrane helices in protein amino acid…”
Get full text

Novel γ-Aminobutyric Acid ρ1 Receptor Antagonists; Synthesis, Pharmacological Activity and Structure−Activity Relationships by Kumar, Rohan J, Chebib, Mary, Hibbs, David E, Kim, Hye-Lim, Johnston, Graham A. R, Salam, Noeris K, Hanrahan, Jane R

“…γ-Aminobutyric acid (GABA) analogues based on 4-amino-cyclopent-1-enyl phosphinic acid (34−42) and 3-aminocyclobutane phosphinic acids (51, 52, 56, 57) were…”
Get full text

A novel LXR-α activator identified from the natural product Gynostemma pentaphyllum by Huang, Tom Hsun-Wei, Razmovski-Naumovski, Valentina, Salam, Noeris K., Duke, Rujee K., Tran, Van Hoan, Duke, Colin C., Roufogalis, Basil D.

“…Liver X receptors (LXR) play an important role in cholesterol homeostasis by serving as regulatory sensors of cholesterol levels in tissues. The present study…”
Get full text

Novel Cyclic Phosphinic Acids as GABAC ρ Receptor Antagonists: Design, Synthesis, and Pharmacology by Gavande, Navnath, Yamamoto, Izumi, Salam, Noeris K, Ai, Tu-Hoa, Burden, Peter M, Johnston, Graham A. R, Hanrahan, Jane R, Chebib, Mary

“…Understanding the role of GABAC receptors in the central nervous system is limited due to a lack of specific ligands. Novel γ-aminobutyric acid (GABA)…”
Get full text

T-Cell Antigen Receptor-alpha Chain Transmembrane Peptides: Correlation between Structure and Function by Ali, Marina, Salam, Noeris K, Amon, Michael, Bender, Veronika, Hibbs, David E, Manolios, Nicholas

“…Issue Title: Australian Peptide Conference Issue Core peptide (CP) is a unique peptide derived from the transmembrane sequence of T cell antigen receptor…”
Get full text

Synthesis, activity and pharmacophore development for isatin-β-thiosemicarbazones with selective activity towards multidrug resistant cellsa by Hall, Matthew D., Salam, Noeris K., Hellawell, Jennifer L., Fales, Henry M., Kensler, Caroline B., Ludwig, Joseph A., Szakacs, Gergely, Hibbs, David E., Gottesman, Michael M.

“…We have recently identified a new class of compounds that selectively kill cells that express P-glycoprotein (P-gp, MDR1), the ATPase efflux pump that confers…”
Get full text

Novel γ-Aminobutyric Acid ρ 1 Receptor Antagonists; Synthesis, Pharmacological Activity and Structure−Activity Relationships by Kumar, Rohan J., Chebib, Mary, Hibbs, David E., Kim, Hye-Lim, Johnston, Graham A. R., Salam, Noeris K., Hanrahan, Jane R.

Get full text

Novel γ-Aminobutyric Acid p1 Receptor Antagonists; Synthesis, Pharmacological Activity and Structure-Activity Relationships by KUMAR, Rohan J, CHEBIB, Mary, HIBBS, David E, KIM, Hye-Lim, JOHNSTON, Graham A. R, SALAM, Noeris K, HANRAHAN, Jane R

Get full text