Literature DB >> 30793989

A bright future for fragment-based drug discovery: what does it hold?

Célien Jacquemard1, Esther Kellenberger1.   

Abstract

Keywords:  Structure-based drug desig; X-ray crystallography; binding mode conservation; fragment merging/linking/growing

Year:  2019        PMID： 30793989     DOI： 10.1080/17460441.2019.1583643

Source DB:  PubMed          Journal:  Expert Opin Drug Discov        ISSN： 1746-0441            Impact factor:   6.098


× No keyword cloud information.
  14 in total

1.  Comprehensive analysis of commercial fragment libraries.

Authors:  Julia Revillo Imbernon; Célien Jacquemard; Guillaume Bret; Gilles Marcou; Esther Kellenberger
Journal:  RSC Med Chem       Date:  2021-12-24

2.  Inspecting the Mechanism of Fragment Hits Binding on SARS-CoV-2 Mpro by Using Supervised Molecular Dynamics (SuMD) Simulations.

Authors:  Maicol Bissaro; Giovanni Bolcato; Matteo Pavan; Davide Bassani; Mattia Sturlese; Stefano Moro
Journal:  ChemMedChem       Date:  2021-05-06       Impact factor: 3.540

Review 3.  PROTACs: An Emerging Therapeutic Modality in Precision Medicine.

Authors:  Dhanusha A Nalawansha; Craig M Crews
Journal:  Cell Chem Biol       Date:  2020-08-13       Impact factor: 9.039

4.  Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis.

Authors:  Nima Razzaghi-Asl; Ahmad Ebadi; Sara Shahabipour; Danial Gholamin
Journal:  J Biomol Struct Dyn       Date:  2020-07-24

Review 5.  A Practical Perspective on the Roles of Solution NMR Spectroscopy in Drug Discovery.

Authors:  Qingxin Li; CongBao Kang
Journal:  Molecules       Date:  2020-06-28       Impact factor: 4.411

6.  Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-7.

Authors:  Michael Gütschow; Jean Jacques Vanden Eynde; Josef Jampilek; CongBao Kang; Arduino A Mangoni; Paola Fossa; Rafik Karaman; Andrea Trabocchi; Peter J H Scott; Jóhannes Reynisson; Simona Rapposelli; Stefania Galdiero; Jean-Yves Winum; Chiara Brullo; Katalin Prokai-Tatrai; Arun K Sharma; Matthieu Schapira; Yasu-Taka Azuma; Laura Cerchia; Mariana Spetea; Giangiacomo Torri; Simona Collina; Athina Geronikaki; Alfonso T García-Sosa; M Helena Vasconcelos; Maria Emília Sousa; Ivan Kosalec; Tiziano Tuccinardi; Iola F Duarte; Jorge A R Salvador; Massimo Bertinaria; Maurizio Pellecchia; Jussara Amato; Giulio Rastelli; Paula A C Gomes; Rita C Guedes; Jean-Marc Sabatier; Ana Estévez-Braun; Bruno Pagano; Stefano Mangani; Rino Ragno; George Kokotos; Margherita Brindisi; Florenci V González; Fernanda Borges; Mariarosaria Miloso; Jarkko Rautio; Diego Muñoz-Torrero
Journal:  Molecules       Date:  2020-06-28       Impact factor: 4.411

Review 7.  Concepts and Core Principles of Fragment-Based Drug Design.

Authors:  Philine Kirsch; Alwin M Hartman; Anna K H Hirsch; Martin Empting
Journal:  Molecules       Date:  2019-11-26       Impact factor: 4.411

8.  Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins.

Authors:  Mihaela D Smilova; Peter R Curran; Chris J Radoux; Frank von Delft; Jason C Cole; Anthony R Bradley; Brian D Marsden
Journal:  J Chem Inf Model       Date:  2022-01-12       Impact factor: 4.956

9.  Quadruple Target Evaluation of Diversity-Optimized Halogen-Enriched Fragments (HEFLibs) Reveals Substantial Ligand Efficiency for AP2-Associated Protein Kinase 1 (AAK1).

Authors:  Marcel Dammann; Markus Kramer; Markus O Zimmermann; Frank M Boeckler
Journal:  Front Chem       Date:  2022-02-02       Impact factor: 5.221

Review 10.  High-Throughput Approaches for the Identification of Pseudomonas aeruginosa Antivirulents.

Authors:  Donghoon Kang; Liyang Zhang; Natalia V Kirienko
Journal:  mBio       Date:  2021-05-04       Impact factor: 7.867
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.