نتایج جستجو برای: docking strategy

تعداد نتایج: 362497  

Journal: :Biochemistry 2000
G J Narlikar L E Bartley D Herschlag

The Tetrahymena group I ribozyme's oligonucleotide substrate, CCCUCUA(5), forms six base pairs with the ribozyme's internal guide sequence (IGS, 5'GGAGGG) to give the P1 duplex, and this duplex then docks into the active site via tertiary interactions. Shortening the substrate by three residues to give UCUA(5) reduces the equilibrium constant for P1 docking by approximately 200-fold even though...

2013
Vijay Kumar Pushpraj M. Pathak

This paper presents an attitude control strategy in the three planar space robots having two DOF for docking operation of a free flying hexagonal object using the bond graph technique for modeling and simulation. As the highly non linearity, strongly coupled and non-holonomic characteristics of a free flying space robot, the position and posture of the base body changes when the free floating s...

2015
Pedro Batista Carlos Silvestre Paulo Oliveira

This paper presents a novel integrated guidance and control strategy for docking of autonomous underwater vehicles. The approach to the base, and hence the control design, is divided in two steps: (i) in the first, at higher speed, the vehicle dynamics is assumed to be underactuated, and an appropriate control law is derived to steer the vehicle towards the final docking path, achieving converg...

Journal: :Journal of medicinal chemistry 2013
Karine Lafleur Jing Dong Danzhi Huang Amedeo Caflisch Cristina Nevado

Inhibition of the tyrosine kinase erythropoietin-producing human hepatocellular carcinoma receptor B4 (EphB4) is an effective strategy for the treatment of solid tumors. We have previously reported a low nanomolar ATP-competitive inhibitor of EphB4 discovered in silico by fragment-based high-throughput docking combined with explicit solvent molecular dynamics simulations. Here we present a seco...

2006
Clemens Kaiser Peter Hofmann Klaus Landzettel Sven Erb

The primary objective of the Orbital Recovery System (ORS) is to provide low-cost lifetime extension for nearly fueldepleted operational geostationary telecommunication satellites. The concept is to have the ORS approach the client satellite in GEO, dock with it and provide attitude and orbit control services over a period of several year. The development of ORS is carried out as a public-priva...

2014
Hira KHALID Aziz UR REHMAN Muhammad Athar ABBASI Rashad HUSSAIN Khalid MOHAMMAD KHAN Muhammed ASHRAF Syeda Abida EJAZ Muhammad Qaiser FATMI

A series of new N ′ -[(alkyl/aryl)sulfonyl]-1-(phenylsulfonyl)piperidine-4-carbohydrazide derivatives were synthesized. Starting from ethyl piperidine-4-carboxylate (a), first ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate (1), second 1-(phenylsulfonyl)piperidine-4-carbohydrazide (2), and finally N ′ -[(alkyl/aryl)sulfonyl]-1-(phenylsulfonyl)piperidine4-carbohydrazides (4a–n) were synthesized...

Journal: :Bioorganic & medicinal chemistry 2008
Fujie Tanaka Yunfeng Hu Jori Sutton Lily Asawapornmongkol Roberta Fuller Arthur J Olson Carlos F Barbas Richard A Lerner

Phage-displayed peptides that selectively bind to aldolase catalytic antibody 93F3 when bound to a particular 1,3-diketone hapten derivative have been developed using designed selection strategies with libraries containing 7-12 randomized amino acid residues. These phage-displayed peptides discriminated the particular 93F3-diketone complex from ligand-free 93F3 and from 93F3 bound to other 1,3-...

2010
Yong Ai Shao-Teng Wang Ping-Hua Sun Fa-Jun Song

CDK2/cyclin A has appeared as an attractive drug targets over the years with diverse therapeutic potentials. A computational strategy based on comparative molecular fields analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) followed by molecular docking studies were performed on a series of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as potent CDK2/cyclin A...

Journal: :Organic & biomolecular chemistry 2013
Dhilli Rao Gorja Soumita Mukherjee Chandana Lakshmi T Meda Girdhar Singh Deora K Lalith Kumar Ankit Jain Girish H Chaudhari Keerthana S Chennubhotla Rakesh K Banote Pushkar Kulkarni Kishore V L Parsa K Mukkanti Manojit Pal

A new strategy for converting antipsychotic drug olanzapine into PDE4 inhibitors is described via the design and Pd/C mediated synthesis of novel N-indolylmethyl olanzapine derivatives. One compound showed good inhibition (IC50 1.1 μM) and >10 fold selectivity towards PDE4B over D that was supported by docking studies. This compound also showed significant inhibition of TNF-α and no major toxic...

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