Literature DB >> 24103767

Ligand efficiency as a guide in fragment hit selection and optimization.

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Abstract

Year:  2010        PMID： 24103767     DOI： 10.1016/j.ddtec.2010.11.003

Source DB:  PubMed          Journal:  Drug Discov Today Technol        ISSN： 1740-6749


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  31 in total

1.  Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase.

Authors:  Lena Hefke; Kerstin Hiesinger; W Felix Zhu; Jan S Kramer; Ewgenij Proschak
Journal:  ACS Med Chem Lett       Date:  2020-04-08       Impact factor: 4.345

2.  Identification of potential glutaminyl cyclase inhibitors from lead-like libraries by in silico and in vitro fragment-based screening.

Authors:  Mária Szaszkó; István Hajdú; Beáta Flachner; Krisztina Dobi; Csaba Magyar; István Simon; Zsolt Lőrincz; Zoltán Kapui; Tamás Pázmány; Sándor Cseh; György Dormán
Journal:  Mol Divers       Date:  2017-01-09       Impact factor: 2.943

3.  Identification of an Indazole-Based Pharmacophore for the Inhibition of FGFR Kinases Using Fragment-Led de Novo Design.

Authors:  Lewis D Turner; Abbey J Summers; Laura O Johnson; Margaret A Knowles; Colin W G Fishwick
Journal:  ACS Med Chem Lett       Date:  2017-11-11       Impact factor: 4.345

4.  Cefsulodin Inspired Potent and Selective Inhibitors of mPTPB, a Virulent Phosphatase from Mycobacterium tuberculosis.

Authors:  Rongjun He; Zhi-Hong Yu; Ruo-Yu Zhang; Li Wu; Andrea M Gunawan; Zhong-Yin Zhang
Journal:  ACS Med Chem Lett       Date:  2015-11-03       Impact factor: 4.345

Review 5.  Structural Analysis of Chemokine Receptor-Ligand Interactions.

Authors:  Marta Arimont; Shan-Liang Sun; Rob Leurs; Martine Smit; Iwan J P de Esch; Chris de Graaf
Journal:  J Med Chem       Date:  2017-03-10       Impact factor: 7.446

6.  KRAS G12C fragment screening renders new binding pockets.

Authors:  Magali Mathieu; Valérie Steier; Florence Fassy; Cécile Delorme; David Papin; Bruno Genet; Francis Duffieux; Thomas Bertrand; Laure Delarbre; Hélène Le-Borgne; Annick Parent; Patrick Didier; Jean-Pierre Marquette; Maryse Lowinski; Jacques Houtmann; Annabelle Lamberton; Laurent Debussche; Rak Alexey
Journal:  Small GTPases       Date:  2021-09-24

7.  Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.

Authors:  Weiyang Dai; Soma Samanta; Ding Xue; Elyse M Petrunak; Jeanne A Stuckey; Yanyan Han; Duxin Sun; Yong Wu; Nouri Neamati
Journal:  J Med Chem       Date:  2019-02-22       Impact factor: 7.446

8.  Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.

Authors:  Meredith J Zeller; Ashok Nuthanakanti; Kelin Li; Jeffrey Aubé; Alexander Serganov; Kevin M Weeks
Journal:  ACS Chem Biol       Date:  2022-01-21       Impact factor: 5.100

9.  A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex.

Authors:  Shailesh Tripathi; Shruti Mathur; Prashant Deshmukh; Ramu Manjula; Balasundaram Padmanabhan
Journal:  PLoS One       Date:  2016-05-31       Impact factor: 3.240

10.  AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4.

Authors:  Mario S Valdés-Tresanco; Mario E Valdés-Tresanco; Pedro A Valiente; Ernesto Moreno
Journal:  Biol Direct       Date:  2020-09-16       Impact factor: 4.540
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