Literature DB >> 27939283

Global vision of druggability issues: applications and perspectives.

Hiba Abi Hussein1, Colette Geneix2, Michel Petitjean2, Alexandre Borrel3, Delphine Flatters2, Anne-Claude Camproux4.   

Abstract

During the preliminary stage of a drug discovery project, the lack of druggability information and poor target selection are the main causes of frequent failures. Elaborating on accurate computational druggability prediction methods is a requirement for prioritizing target selection, designing new drugs and avoiding side effects. In this review, we describe a survey of recently reported druggability prediction methods mainly based on networks, statistical pocket druggability predictions and virtual screening. An application for a frequent mutation of p53 tumor suppressor is presented, illustrating the complementarity of druggability prediction approaches, the remaining challenges and potential new drug development perspectives.
Copyright © 2016 Elsevier Ltd. All rights reserved.

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Year:  2016        PMID: 27939283     DOI: 10.1016/j.drudis.2016.11.021

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  20 in total

1.  Binding site characterization - similarity, promiscuity, and druggability.

Authors:  Christiane Ehrt; Tobias Brinkjost; Oliver Koch
Journal:  Medchemcomm       Date:  2019-06-06       Impact factor: 3.597

Review 2.  Approaches to target tractability assessment - a practical perspective.

Authors:  Kristin K Brown; Michael M Hann; Ami S Lakdawala; Rita Santos; Pamela J Thomas; Kieran Todd
Journal:  Medchemcomm       Date:  2018-02-14       Impact factor: 3.597

3.  Elucidating the druggability of the human proteome with eFindSite.

Authors:  Omar Kana; Michal Brylinski
Journal:  J Comput Aided Mol Des       Date:  2019-03-19       Impact factor: 3.686

4.  The Evolving Druggability and Developability Space: Chemically Modified New Modalities and Emerging Small Molecules.

Authors:  Wenzhan Yang; Prajakta Gadgil; Venkata R Krishnamurthy; Margaret Landis; Pankajini Mallick; Dipal Patel; Phenil J Patel; Darren L Reid; Manuel Sanchez-Felix
Journal:  AAPS J       Date:  2020-01-03       Impact factor: 4.009

5.  Cavity Versus Ligand Shape Descriptors: Application to Urokinase Binding Pockets.

Authors:  Natacha Cerisier; Leslie Regad; Dhoha Triki; Anne-Claude Camproux; Michel Petitjean
Journal:  J Comput Biol       Date:  2017-06-01       Impact factor: 1.479

6.  More is simpler: Decomposition of ligand-binding affinity for proteins being disordered.

Authors:  Xiaohui Wang; Bin Chong; Zhaoxi Sun; Hao Ruan; Yingguang Yang; Pengbo Song; Zhirong Liu
Journal:  Protein Sci       Date:  2022-07       Impact factor: 6.993

Review 7.  Therapeutic Advances in Diabetes, Autoimmune, and Neurological Diseases.

Authors:  Jinsha Liu; Joey Paolo Ting; Shams Al-Azzam; Yun Ding; Sepideh Afshar
Journal:  Int J Mol Sci       Date:  2021-03-10       Impact factor: 5.923

8.  Systematic interrogation of diverse Omic data reveals interpretable, robust, and generalizable transcriptomic features of clinically successful therapeutic targets.

Authors:  Andrew D Rouillard; Mark R Hurle; Pankaj Agarwal
Journal:  PLoS Comput Biol       Date:  2018-05-21       Impact factor: 4.475

Review 9.  In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery.

Authors:  Lauro Ribeiro de Souza Neto; José Teófilo Moreira-Filho; Bruno Junior Neves; Rocío Lucía Beatriz Riveros Maidana; Ana Carolina Ramos Guimarães; Nicholas Furnham; Carolina Horta Andrade; Floriano Paes Silva
Journal:  Front Chem       Date:  2020-02-18       Impact factor: 5.221

10.  VB-MK-LMF: fusion of drugs, targets and interactions using variational Bayesian multiple kernel logistic matrix factorization.

Authors:  Bence Bolgár; Péter Antal
Journal:  BMC Bioinformatics       Date:  2017-10-04       Impact factor: 3.169

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