Literature DB >> 22004084

Medicinal chemistry for 2020.

Seetharama D Satyanarayanajois1, Ronald A Hill.   

Abstract

Rapid advances in our collective understanding of biomolecular structure and, in concert, of biochemical systems, coupled with developments in computational methods, have massively impacted the field of medicinal chemistry over the past two decades, with even greater changes appearing on the horizon. In this perspective, we endeavor to profile some of the most prominent determinants of change and speculate as to further evolution that may consequently occur during the next decade. The five main angles to be addressed are: protein-protein interactions; peptides and peptidomimetics; molecular diversity and pharmacological space; molecular pharmacodynamics (significance, potential and challenges); and early-stage clinical efficacy and safety. We then consider, in light of these, the future of medicinal chemistry and the educational preparation that will be required for future medicinal chemists.

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Year:  2011        PMID: 22004084      PMCID: PMC3230884          DOI: 10.4155/fmc.11.135

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


  129 in total

1.  Design, synthesis, and characterization of a potent, nonpeptide, cell-permeable, bivalent Smac mimetic that concurrently targets both the BIR2 and BIR3 domains in XIAP.

Authors:  Haiying Sun; Zaneta Nikolovska-Coleska; Jianfeng Lu; Jennifer L Meagher; Chao-Yie Yang; Su Qiu; York Tomita; Yumi Ueda; Sheng Jiang; Krzysztof Krajewski; Peter P Roller; Jeanne A Stuckey; Shaomeng Wang
Journal:  J Am Chem Soc       Date:  2007-11-14       Impact factor: 15.419

Review 2.  Protein therapeutics: a summary and pharmacological classification.

Authors:  Benjamin Leader; Quentin J Baca; David E Golan
Journal:  Nat Rev Drug Discov       Date:  2008-01       Impact factor: 84.694

Review 3.  Collateral efficacy in drug discovery: taking advantage of the good (allosteric) nature of 7TM receptors.

Authors:  Terry Kenakin
Journal:  Trends Pharmacol Sci       Date:  2007-07-13       Impact factor: 14.819

Review 4.  Molecule-pharmacophore superpositioning and pattern matching in computational drug design.

Authors:  Gerhard Wolber; Thomas Seidel; Fabian Bendix; Thierry Langer
Journal:  Drug Discov Today       Date:  2007-11-05       Impact factor: 7.851

Review 5.  Strategies and tactics for optimizing the Hit-to-Lead process and beyond--a computational chemistry perspective.

Authors:  Charles J Manly; Jayaraman Chandrasekhar; Joseph W Ochterski; Jack D Hammer; Benjamin B Warfield
Journal:  Drug Discov Today       Date:  2007-12-11       Impact factor: 7.851

6.  Application of isothermal titration calorimetry and column chromatography for identification of biomolecular targets.

Authors:  Xingding Zhou; R Manjunatha Kini; J Sivaraman
Journal:  Nat Protoc       Date:  2011-01-20       Impact factor: 13.491

7.  Predicting kinetic constants of protein-protein interactions based on structural properties.

Authors:  Hongjun Bai; Kun Yang; Daqi Yu; Changsheng Zhang; Fangjin Chen; Luhua Lai
Journal:  Proteins       Date:  2010-12-06

8.  NIH encourages translational collaboration with industry.

Authors:  Meredith Wadman
Journal:  Nat Rev Drug Discov       Date:  2010-03-12       Impact factor: 84.694

9.  Application of surface plasmon resonance spectroscopy to study G-protein coupled receptor signalling.

Authors:  Konstantin E Komolov; Karl-Wilhelm Koch
Journal:  Methods Mol Biol       Date:  2010

10.  The immunogenicity of humanized and fully human antibodies: residual immunogenicity resides in the CDR regions.

Authors:  Fiona A Harding; Marcia M Stickler; Jennifer Razo; Robert B DuBridge
Journal:  MAbs       Date:  2010-05-01       Impact factor: 5.857

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  8 in total

Review 1.  Expanding the medicinal chemistry synthetic toolbox.

Authors:  Jonas Boström; Dean G Brown; Robert J Young; György M Keserü
Journal:  Nat Rev Drug Discov       Date:  2018-08-24       Impact factor: 84.694

Review 2.  Automating drug discovery.

Authors:  Gisbert Schneider
Journal:  Nat Rev Drug Discov       Date:  2017-12-15       Impact factor: 84.694

3.  Rhinacanthin-C but Not -D Extracted from Rhinacanthus nasutus (L.) Kurz Offers Neuroprotection via ERK, CHOP, and LC3B Pathways.

Authors:  Varaporn Rakkhittawattana; Pharkphoom Panichayupakaranant; Mani I Prasanth; James M Brimson; Tewin Tencomnao
Journal:  Pharmaceuticals (Basel)       Date:  2022-05-20

Review 4.  Rethinking drug design in the artificial intelligence era.

Authors:  Petra Schneider; W Patrick Walters; Alleyn T Plowright; Norman Sieroka; Jennifer Listgarten; Robert A Goodnow; Jasmin Fisher; Johanna M Jansen; José S Duca; Thomas S Rush; Matthias Zentgraf; John Edward Hill; Elizabeth Krutoholow; Matthias Kohler; Jeff Blaney; Kimito Funatsu; Chris Luebkemann; Gisbert Schneider
Journal:  Nat Rev Drug Discov       Date:  2019-12-04       Impact factor: 84.694

5.  CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration.

Authors:  Ryosuke Shibukawa; Shoichi Ishida; Kazuki Yoshizoe; Kunihiro Wasa; Kiyosei Takasu; Yasushi Okuno; Kei Terayama; Koji Tsuda
Journal:  J Cheminform       Date:  2020-09-01       Impact factor: 5.514

6.  AI-Driven Synthetic Route Design Incorporated with Retrosynthesis Knowledge.

Authors:  Shoichi Ishida; Kei Terayama; Ryosuke Kojima; Kiyosei Takasu; Yasushi Okuno
Journal:  J Chem Inf Model       Date:  2022-03-08       Impact factor: 4.956

7.  Development of New Potential Inhibitors of β1 Integrins through In Silico Methods-Screening and Computational Validation.

Authors:  Disraeli Vasconcelos; Beatriz Chaves; Aline Albuquerque; Luca Andrade; Andrielly Henriques; Geraldo Sartori; Wilson Savino; Ernesto Caffarena; João Herminio Martins-Da-Silva
Journal:  Life (Basel)       Date:  2022-06-22

8.  A molecular-modeling toolbox aimed at bridging the gap between medicinal chemistry and computational sciences.

Authors:  Sameh Eid; Adam Zalewski; Martin Smieško; Beat Ernst; Angelo Vedani
Journal:  Int J Mol Sci       Date:  2013-01-04       Impact factor: 5.923

  8 in total

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