Literature DB >> 30058835

Recent advances in fragment-based computational drug design: tackling simultaneous targets/biological effects.

Alejandro Speck-Planche1.   

Abstract

Keywords:  ADME; fragment-based drug discovery; integrative; mtk-QSBER models; multiscale de novo drug design

Mesh:

Year:  2018        PMID: 30058835     DOI: 10.4155/fmc-2018-0213

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


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  8 in total

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2.  The urgent need for pan-antiviral agents: from multitarget discovery to multiscale design.

Authors:  Valeria V Kleandrova; Alejandro Speck-Planche
Journal:  Future Med Chem       Date:  2020-11-23       Impact factor: 3.808

3.  De novo design of new chemical entities for SARS-CoV-2 using artificial intelligence.

Authors:  Navneet Bung; Sowmya R Krishnan; Gopalakrishnan Bulusu; Arijit Roy
Journal:  Future Med Chem       Date:  2021-02-16       Impact factor: 3.808

4.  QSAR-Co-X: an open source toolkit for multitarget QSAR modelling.

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Authors:  Amit Kumar Halder; Ana S Moura; Maria Natália D S Cordeiro
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6.  AI-Aided Design of Novel Targeted Covalent Inhibitors against SARS-CoV-2.

Authors:  Bowen Tang; Fengming He; Dongpeng Liu; Fei He; Tong Wu; Meijuan Fang; Zhangming Niu; Zhen Wu; Dong Xu
Journal:  Biomolecules       Date:  2022-05-25

Review 7.  A Review on Applications of Computational Methods in Drug Screening and Design.

Authors:  Xiaoqian Lin; Xiu Li; Xubo Lin
Journal:  Molecules       Date:  2020-03-18       Impact factor: 4.411

8.  Multi-Target Chemometric Modelling, Fragment Analysis and Virtual Screening with ERK Inhibitors as Potential Anticancer Agents.

Authors:  Amit Kumar Halder; Amal Kanta Giri; Maria Natália Dias Soeiro Cordeiro
Journal:  Molecules       Date:  2019-10-30       Impact factor: 4.411

  8 in total

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