Unconventional split aptamers cleaved at functionally essential sites preserve biorecognition capability by Wang, Ruoyu, Zhang, Qiansen, Zhang, Yi, Shi, Hanchang, Nguyen, Kim Truc, Zhou, Xiaohong

“…An allosteric binding mechanism of BPSPAs, in which a new binding pocket is formed upon the target binding, is revealed by all-atom microsecond-scale molecular dynamics simulations. …”
Get full text

Part I Targeting RNA duplexes with modified triplex-forming oligonucleotides Part II Allostery within a Watson-Crick RNA duplex and its application in studying RNA recognition by R... by Zhou, Yuan

“…Here, we incorporated Locked Nucleic Acid (LNA), 2-thio U, and 2′-O methyl modified residues in a series of all pyrimidine RNA TFOs, and studied the binding to two RNA hairpin structures. 12-Base-triple major-groove pyrimidine•purine-pyrimidine triplex structures form between the RNA/DNA hairpins and the complementary RNA TFOs. …”
Get full text

Membrane cholesterol modulates oligomeric status and peptide-membrane interaction of severe acute respiratory syndrome coronavirus fusion peptide by Meher, Geetanjali, Bhattacharjya, Surajit, Chakraborty, Hirak

Get full text

CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil by Almqvist, Helena, Axelsson, Hanna, Jafari, Rozbeh, Dan, Chen, Mateus, André, Haraldsson, Martin, Larsson, Andreas, Molina, Daniel Martinez, Artursson, Per, Lundbäck, Thomas, Nordlund, Pär

“…Assessment of compound binding to native target proteins in live cells is therefore highly desirable in all stages of drug discovery. …”
Get full text
Get full text

Macrobrachium rosenbergii De Man nodavirus recombinant capsid protein production and its interactions with RNA by Goh, Zee Hong

“…Studies on the other members of the Nodaviridae family revealed that the RNA binding site is important for virus assembly and removal of this region inhibits the virus maturation. …”
Get full text

Synthesis and application of peptidoglycan oligomers as metabolic labeling agents for bacteria by He, Jingxi

“…Using super-resolution STED confocal microscopy, PGO-rhodamine were found to be localized into the cell walls of all bacterial strains tested. Furthermore, the PGO-rhodamine was not taken up or incorporated into mammalian cells at all, thus confirming that PGOs can be a powerful tool for pan-bacteria-specific labeling and imaging. …”
Get full text

In silico screening of sugar alcohol compounds to inhibit viral matrix protein VP40 of Ebola virus by Nagarajan, Nagasundaram, Yapp, Edward Kien Yee, Le, Nguyen Quoc Khanh, Yeh, Hui-Yuan

Get full text

Structure and functions of a metallo-beta-lactamase- like hypothetical protein bleg1_2437 from alkali-tolerant soil bacterium Bacillus lehensis G1 by Tan, Soo Huei

“…Although MBL is not ubiquitously found in all pathogenic bacteria, its presence is a public health concern. …”
Get full text

Effects of doping concentration on bond length and bond energy studied by Raman shift by Yang, Xuexian, Dong, Zhili, Sun, Chang Q.

“…Numerical reproduction of the measurements clarified that the host atom phonons involved interaction with all of its z neighbors, whereas the doping atom phonon only involved interaction with a dimer. …”
Get full text

Discovery of glucose-specific, peptide-based carbohydrate mimics using phage displayed random peptide libraries. by Yu, Limin.

“…As part of a larger project to establish general rules for peptide and peptidomimetic-based sugar mimicry, we have screened two phage display libraries (“C-X7-C” and “X12”) against a series of three glucose-binding plant lectins: Concanavalin A (Con A), Pisum Sativum Agglutinin (PSA), and Lens Culinaris Agglutinin (LCA), so as to discover ligands that bind ALL THREE lectins and therefore could act as true functional sugar mimics. …”
Get full text

Computational screening of FDA-approved hepatitis c drugs for inhibition of VEGFR2 in liver cancer by Roney, Miah, Issahaku, Abdul Rashid, Tufail, Nasir, Wilhelm, Anke, Mohd Fadhlizil Fasihi, Mohd Aluwi

“…Compared to the control compound, two FDA-approved HCV drugs (DB09102 and DB09027) were selected based on their binding energies and interactions with the target protein, which showed comparable binding energies. …”
Get full text

HLA-DQB1*05 subtypes and not DRB1*10:01 mediates risk in anti-IgLON5 disease by Yogeshwar, SM, Muñiz-Castrillo, S, Sabater, L, Peris-Sempere, V, Mallajosyula, V, Luo, G, Yan, H, Yu, E, Zhang, J, Lin, L, Fagundes Bueno, F, Ji, X, Picard, G, Rogemond, V, Pinto, AL, Heidbreder, A, Höftberger, R, Graus, F, Dalmau, J, Santamaria, J, Iranzo, A, Schreiner, B, Giannoccaro, MP, Liguori, R, Shimohata, T, Kimura, A, Ono, Y, Binks, S, Mariotto, S, Dinoto, A, Bonello, M, Hartmann, CJ, Tambasco, N, Nigro, P, Prüss, H, McKeon, A, Davis, MM, Irani, SR, Honnorat, J, Gaig, C, Finke, C, Mignot, E

“…The functional relevance of the observed HLA-DQ molecules was studied with competition binding assays. These proof-of-concept experiments revealed preferential binding of IgLON5 in a post-translationally modified, but not native, state to all three risk-associated HLA-DQ receptors. …”

Screening for pathogenic neuronal autoantibodies in serum and CSF of patients with first-episode psychosis by Theorell, J, Ramberger, M, Harrison, R, Mgbachi, V, Jacobson, L, Waters, P, Erhardt, S, Sellgren, CM, Cervenka, S, Piehl, F, Irani, SR

“…These identified 3/71 (4%) patient sera with weak binding to either contactin-associated protein-like 2, the NMDAR or glycine receptor versus no binding from 48 control samples (p = 0.28, Fisher's test). …”

Polar curved polycyclic aromatic hydrocarbons in soot formation by Menon, Angiras, Martin, Jacob W., Bowal, Kimberly, Slavchov, Radomir I., Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus

Get full text
Get full text

Structural insights into polyamine spermidine uptake by the ABC transporter PotD-PotABC by Qiao, Zhu, Do, Phong Hoa, Yeo, Joshua Yi, Ero, Rya, Li, Zhuowen, Zhan, Liying, Basak, Sandip, Gao, Yong-Gui

“…Polyamines, characterized by their polycationic nature, are ubiquitously present in all organisms and play numerous cellular functions. …”
Get full text

Investigating molecular vulnerabilities in TP53-mutant transformed myeloproliferative neoplasms by Paterson, A

“…In addition to this intra-patient comparison, analysis included comparisons between <em>TP53</em>-mutant LSC and healthy donor controls and <em>TP53</em>-WT MPN patients. In all comparisons, I identified a cohort of RNA-binding proteins (RBP) to be significantly upregulated in <em>TP53</em>-mutant LSC. …”

Atherogenesis and plaque rupture, surface/interface-related phenomena by Siegel, G., Berkholz, J., Klüßendorf, D., Knosalla, C., Zakrzewicz, A., Ermilov, E., Malmsten, M., Lindman, Bjorn

Get full text

Harnessing cooperative multivalency in thioguanine for surface-enhanced raman scattering (SERS)-based differentiation of polyfunctional analytes differing by a single functional gr... by Nguyen, Lam Bang Thanh, Tan, Emily Xi, Leong, Shi Xuan, Koh, Charlynn Sher Lin, Madhumita, Murugan, Phang, In Yee, Ling, Xing Yi

“…Crucially, we demonstrate distinct spectral changes induced by the tridentate interaction between TG's three anchoring points and all the analyte's functional groups, even the least reactive ones. …”
Get full text

Salting effects on protein components in aqueous NaCl and urea solutions : toward understanding of urea-induced protein denaturation by Mu, Yuguang, Li, Weifeng, Zhou, Ruhong

“…Our results show that NaCl displays strong capability to salt out all 15 molecules, while urea facilitates the solvation (salting-in) of all the 15 molecules on the other hand. …”
Get full text
Get full text

Investigating factors contributing to enhancer-promoter interaction by Cornell, LJ

“…Enhancer promoter interactions usually occur within topologically associated domains (TADs); large regions (200-2000kb) of interacting chromatin delimited by binding sites for the insulating factor CTCF. Whilst we know that all these mechanisms play a role, it remains unclear how each contributes. …”