ACD: Antimicrobial chemotherapeutics database

PLoS One. 2020 Jun 25;15(6):e0235193. doi: 10.1371/journal.pone.0235193. eCollection 2020.

Abstract

Antimicrobial resistance is becoming a growing health problem, which has become a challenge for the physicians to control infection and also an economic burden on the healthcare. This increase in resistance to the present antimicrobial agents led the researchers to find some alternative and more efficient drugs which can fight with the resistant microorganisms more effectively. Hence, in silico approach is used to design some novel drugs against various targets of microorganisms. For effective virtual screening of the drugs, there is a need to know about the chemical structure and properties of the antimicrobial agents. Therefore, we have prepared a comprehensive database as a platform for the researcher to search for possible lead molecules. Antimicrobial chemotherapeutics database (ACD) is comprised of ~4100 synthetic antimicrobial compounds as well as ~1030 active antimicrobial peptides. The Antimicrobial peptides are mainly from biological sources but some of them are synthetic in nature. Only those compounds, which are found to be active against either bacteria (both Gram-positive and negative) or fungus, are selected for this database.The ACD database is freely available at URL: http://amdr.amu.ac.in/acd, and it is compatible with desktops, smartphones, and tablets.

MeSH terms

  • Animals
  • Anti-Infective Agents* / chemistry
  • Anti-Infective Agents* / therapeutic use
  • Computer Simulation*
  • Databases, Pharmaceutical*
  • Drug Evaluation, Preclinical
  • Fungi
  • Gram-Negative Bacteria
  • Gram-Negative Bacterial Infections / drug therapy*
  • Gram-Positive Bacteria
  • Gram-Positive Bacterial Infections / drug therapy*
  • Humans
  • Mycoses / drug therapy*

Substances

  • Anti-Infective Agents

Grants and funding

The author(s) received no specific funding for this work.