Literature DB >> 28485634

Computational scaffold hopping: cornerstone for the future of drug design?

Jürgen Bajorath1.   

Abstract

Keywords:  active compounds; computational methods; drug design; scaffold hopping; therapeutic targets

Mesh：

Substances：

Year:  2017        PMID： 28485634     DOI： 10.4155/fmc-2017-0043

Source DB:  PubMed          Journal:  Future Med Chem        ISSN： 1756-8919            Impact factor:   3.808


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  6 in total

1.  Novel pyrazolo[4,3-d]pyrimidine microtubule targeting agents (MTAs): Synthesis, structure-activity relationship, in vitro and in vivo evaluation as antitumor agents.

Authors:  Farhana Islam; Tasdique M Quadery; Ruoli Bai; Lerin R Luckett-Chastain; Ernest Hamel; Michael A Ihnat; Aleem Gangjee
Journal:  Bioorg Med Chem Lett       Date:  2021-03-09       Impact factor: 2.940

Review 2.  Cyclic Dipeptides: The Biological and Structural Landscape with Special Focus on the Anti-Cancer Proline-Based Scaffold.

Authors:  Joanna Bojarska; Adam Mieczkowski; Zyta M Ziora; Mariusz Skwarczynski; Istvan Toth; Ahmed O Shalash; Keykavous Parang; Shaima A El-Mowafi; Eman H M Mohammed; Sherif Elnagdy; Maha AlKhazindar; Wojciech M Wolf
Journal:  Biomolecules       Date:  2021-10-14

Review 3.  Natural product drug discovery in the artificial intelligence era.

Authors:  F I Saldívar-González; V D Aldas-Bulos; J L Medina-Franco; F Plisson
Journal:  Chem Sci       Date:  2021-12-13       Impact factor: 9.825

4.  A platform for target prediction of phenotypic screening hit molecules.

Authors:  Nadine Homeyer; Ruud van Deursen; Bernardo Ochoa-Montaño; Kathrin Heikamp; Peter Ray; Fabio Zuccotto; Tom L Blundell; Ian H Gilbert
Journal:  J Mol Graph Model       Date:  2019-10-24       Impact factor: 2.518

Review 5.  Lessons from Exploring Chemical Space and Chemical Diversity of Propolis Components.

Authors:  Trong D Tran; Steven M Ogbourne; Peter R Brooks; Norberto Sánchez-Cruz; José L Medina-Franco; Ronald J Quinn
Journal:  Int J Mol Sci       Date:  2020-07-15       Impact factor: 5.923

6.  Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study.

Authors:  Mariangela Agamennone; Loriano Storchi; Alessandro Marrone; Roberto Paciotti
Journal:  J Comput Aided Mol Des       Date:  2021-06-10       Impact factor: 3.686
  6 in total

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