Literature DB >> 18551414

Using ZINC to acquire a virtual screening library.

John J Irwin1.   

Abstract

The ZINC database of commercially available compounds contains biologically relevant representations of purchasable compounds in ready-to-screen formats. ZINC uses catalogs from over 50 compound vendors, changing from time to time to reflect newly available compounds and depleted stock. ZINC is available in subsets that reflect current opinion in the field such as "fragment-like" and "lead-like," and has a facility to create additional small ad hoc subsets. ZINC has a search facility, as well as a service to process molecules that are not in ZINC by uploading them to a server. Copyright 2008 by John Wiley & Sons, Inc.

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Year:  2008        PMID: 18551414     DOI: 10.1002/0471250953.bi1406s22

Source DB:  PubMed          Journal:  Curr Protoc Bioinformatics        ISSN: 1934-3396


  10 in total

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2.  Virtual Screening with AutoDock: Theory and Practice.

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3.  Molecular docking analysis of Clostridium perfringens beta toxin model with potential inhibitors from the ZINC database.

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Journal:  Bioinformation       Date:  2021-06-30

Review 4.  Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system.

Authors:  Vertika Gautam; Anand Gaurav; Neeraj Masand; Vannajan Sanghiran Lee; Vaishali M Patil
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5.  MetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous Metabolites.

Authors:  Steve O'Hagan; Douglas B Kell
Journal:  Front Pharmacol       Date:  2016-08-22       Impact factor: 5.810

6.  Thiopurine Drugs Repositioned as Tyrosinase Inhibitors.

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7.  Discovery of a novel DNA polymerase inhibitor and characterization of its antiproliferative properties.

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Journal:  Cancer Biol Ther       Date:  2018-11-14       Impact factor: 4.742

8.  Leishmania mexicana Trypanothione Reductase Inhibitors: Computational and Biological Studies.

Authors:  Félix Matadamas-Martínez; Alicia Hernández-Campos; Alfredo Téllez-Valencia; Alejandra Vázquez-Raygoza; Sandra Comparán-Alarcón; Lilián Yépez-Mulia; Rafael Castillo
Journal:  Molecules       Date:  2019-09-04       Impact factor: 4.411

9.  Identification of novel natural inhibitors targeting AKT Serine/Threonine Kinase 1 (AKT1) by computational study.

Authors:  Sheng Zhong; Zhiyun Zhang; Zhen Guo; Wenzhuo Yang; Gaojing Dou; Xiaye Lv; Xinhui Wang; Junliang Ge; Bo Wu; Xuefeng Pan; Hongyu Wang; Yonggao Mou
Journal:  Bioengineered       Date:  2022-05       Impact factor: 6.832

10.  Repositioning of Thiourea-Containing Drugs as Tyrosinase Inhibitors.

Authors:  Joonhyeok Choi; Jun-Goo Jee
Journal:  Int J Mol Sci       Date:  2015-12-02       Impact factor: 5.923

  10 in total

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