نتایج جستجو برای: small molecule

تعداد نتایج: 886075  

Journal: :Chemical communications 2016
Robert J Mart Rudolf K Allemann

The last few years have witnessed significant advances in the use of light as a stimulus to control biomolecular interactions. Great efforts have been devoted to the development of genetically encoded optobiological and small photochromic switches. Newly discovered small molecules now allow researchers to build molecular systems that are sensitive to a wider range of wavelengths of light than e...

Journal: :Science 2006
Justin Lamb Emily D Crawford David Peck Joshua W Modell Irene C Blat Matthew J Wrobel Jim Lerner Jean-Philippe Brunet Aravind Subramanian Kenneth N Ross Michael Reich Haley Hieronymus Guo Wei Scott A Armstrong Stephen J Haggarty Paul A Clemons Ru Wei Steven A Carr Eric S Lander Todd R Golub

To pursue a systematic approach to the discovery of functional connections among diseases, genetic perturbation, and drug action, we have created the first installment of a reference collection of gene-expression profiles from cultured human cells treated with bioactive small molecules, together with pattern-matching software to mine these data. We demonstrate that this "Connectivity Map" resou...

Journal: :Bioorganic & medicinal chemistry letters 2000
R M Soll T Lu B Tomczuk C R Illig C Fedde S Eisennagel R Bone L Murphy J Spurlino F R Salemme

We describe a new class of potent, non-amide-based small molecule thrombin inhibitors in which an amidinohydrazone is used as a guanidine bioisostere on a non-peptide scaffold. Compound 4 exhibits nM inhibition of thrombin, is selective for thrombin, and shows 60 and 23% bioavailability in rabbits and dogs, respectively. Crystallographic analysis of 4 bound to thrombin confirmed the amindinohyd...

Journal: :Protein science : a publication of the Protein Society 2005
Patrick J Fleming George D Rose

Evidence from proteins and peptides supports the conclusion that intrapeptide hydrogen bonds stabilize the folded form of proteins. Paradoxically, evidence from small molecules supports the opposite conclusion, that intrapeptide hydrogen bonds are less favorable than peptide-water hydrogen bonds. A related issue-often lost in this debate about comparing peptide-peptide to peptide- water hydroge...

Journal: :Structure 2015
Andreas C Joerger Matthias R Bauer Rainer Wilcken Matthias G J Baud Hannes Harbrecht Thomas E Exner Frank M Boeckler John Spencer Alan R Fersht

The destabilizing p53 cancer mutation Y220C creates an extended crevice on the surface of the protein that can be targeted by small-molecule stabilizers. Here, we identify different classes of small molecules that bind to this crevice and determine their binding modes by X-ray crystallography. These structures reveal two major conformational states of the pocket and a cryptic, transiently open ...

Journal: :Journal of chemical theory and computation 2016
Wenjun Ouyang Wenjie Dou Amber Jain Joseph E Subotnik

We investigate barrier crossings within the context of the Anderson-Holstein model, as relevant to coupled nuclear-electronic dynamics near a metal surface. Beyond standard electronic friction or conventional surface-hopping dynamics, we show that a broadened classical master equation can recover both the correct nonadiabatic and the correct adiabatic dynamics for a general escape problem (even...

Journal: :Chemical communications 2011
Simon Steinberger Amaresh Mishra Egon Reinold Jordan Levichkov Christian Uhrich Martin Pfeiffer Peter Bäuerle

Novel A-D-A type oligothiophenes incorporating benzothiadiazole (BTDA) and thiadiazolopyridine (TDAPy) as terminal acceptor groups have been developed for small molecule organic solar cells (SMSC). In vacuum-processed planar heterojunction solar cells the TDAPy-based oligomer showed a power conversion efficiency of 3.15% and a high fill factor of 0.67.

Journal: :The Journal of chemical physics 2012
David P Shelton

Measurements of hyper-Rayleigh scattering intensities and polarization ratios are presented for nine small molecules in the gas phase [CH(4), CF(4), CCl(4), N(2)O, NH(3), D(2)O, SO(2), CF(2)Cl(2), and (CH(3))(2)CO]. In four cases [CH(4), CF(4), CCl(4), and N(2)O] all molecular hyperpolarizability tensor components can be determined from the measurements. The results of this experiment are compa...

Journal: :Chemical communications 2009
Gavin Collie Anthony P Reszka Shozeb M Haider Valérie Gabelica Gary N Parkinson Stephen Neidle

Quadruplex RNAs are less well understood than their DNA counterparts, yet of potentially high biological relevance. The interactions of several quadruplex-binding ligands with telomeric RNA quadruplexes are reported and compared with their binding to the analogous DNA quadruplexes.

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