Literature DB >> 27883294

Drug discovery beyond the rule of 5 - Opportunities and challenges.

Bradley C Doak1, Jan Kihlberg2.   

Abstract

Keywords:  Beyond rule of 5; conformational flexibility; difficult target; macrocycle; oral absorption

Mesh：

Substances：

Year:  2016        PMID： 27883294     DOI： 10.1080/17460441.2017.1264385

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


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  17 in total

1.  Why Some Targets Benefit from beyond Rule of Five Drugs.

Authors:  Megan Egbert; Adrian Whitty; György M Keserű; Sandor Vajda
Journal:  J Med Chem       Date:  2019-06-26       Impact factor: 7.446

2.  Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation.

Authors:  Rahul Pawara; Iqrar Ahmad; Sanjay Surana; Harun Patel
Journal:  In Silico Pharmacol       Date:  2021-10-06

Review 3.  Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond.

Authors:  Ashley N Matthew; Florian Leidner; Gordon J Lockbaum; Mina Henes; Jacqueto Zephyr; Shurong Hou; Desaboini Nageswara Rao; Jennifer Timm; Linah N Rusere; Debra A Ragland; Janet L Paulsen; Kristina Prachanronarong; Djade I Soumana; Ellen A Nalivaika; Nese Kurt Yilmaz; Akbar Ali; Celia A Schiffer
Journal:  Chem Rev       Date:  2021-01-07       Impact factor: 60.622

Review 4.  Quinoline-Based Hybrid Compounds with Antimalarial Activity.

Authors:  Xhamla Nqoro; Naki Tobeka; Blessing A Aderibigbe
Journal:  Molecules       Date:  2017-12-19       Impact factor: 4.411

Review 5.  Cryptic binding sites on proteins: definition, detection, and druggability.

Authors:  Sandor Vajda; Dmitri Beglov; Amanda E Wakefield; Megan Egbert; Adrian Whitty
Journal:  Curr Opin Chem Biol       Date:  2018-05-23       Impact factor: 8.822

6.  Identification of novel inhibitors of Keap1/Nrf2 by a promising method combining protein-protein interaction-oriented library and machine learning.

Authors:  Yugo Shimizu; Tomoki Yonezawa; Junichi Sakamoto; Toshio Furuya; Masanori Osawa; Kazuyoshi Ikeda
Journal:  Sci Rep       Date:  2021-04-01       Impact factor: 4.379

7.  Cheminformatic Profiling and Hit Prioritization of Natural Products with Activities against Methicillin-Resistant Staphylococcus aureus (MRSA).

Authors:  Samson O Oselusi; Samuel A Egieyeh; Alan Christoffels
Journal:  Molecules       Date:  2021-06-16       Impact factor: 4.411

8.  Macrocyclization of bis-indole quinolines for selective stabilization of G-quadruplex DNA structures.

Authors:  Rabindra Nath Das; Måns Andréasson; Rajendra Kumar; Erik Chorell
Journal:  Chem Sci       Date:  2020-09-16       Impact factor: 9.825

9.  Not Drug-like, but Like Drugs: Cnidaria Natural Products.

Authors:  Claire Laguionie-Marchais; A Louise Allcock; Bill J Baker; Ellie-Ann Conneely; Sarah G Dietrick; Fiona Kearns; Kate McKeever; Ryan M Young; Connor A Sierra; Sylvia Soldatou; H Lee Woodcock; Mark P Johnson
Journal:  Mar Drugs       Date:  2021-12-30       Impact factor: 5.118

Review 10.  The Transporter-Mediated Cellular Uptake and Efflux of Pharmaceutical Drugs and Biotechnology Products: How and Why Phospholipid Bilayer Transport Is Negligible in Real Biomembranes.

Authors:  Douglas B Kell
Journal:  Molecules       Date:  2021-09-16       Impact factor: 4.411
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