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Identification of Therapeutically Active Molecules against Anthrax through Structure and Ligand based Drug Design

[ Vol. 18 , Issue. 27 ]


Sisir Nandi, Mridula Saxena and Anil Kumar Saxena*   Pages 2294 - 2312 ( 19 )


Background: People suffer from fatal diseases which are responsible for mortality. Potent devices and medicines are being developed to fight diseases caused by the microorganism for saving the lives of individuals. Highly pathogenic viruses and bacteria are being incorporated into biological warfare, which has become a major threat to mankind and causes the destruction of lives in a short span of time.

Objective: The pathogen Bacillus anthracis, which is the causative of anthrax, is used in bioterrorism. Efforts are therefore being made to study the progress of biodefense drug discovery research in combating anthrax-based bioterrorism.

Methods: This review describes the present status of the studies ontherapeutic measurement of anthrax toxin inhibitors towards inhibition of protective antigen, lethal and edema factors using chemometric and drug design tools to explore essential structural features for further design of active congeneric compounds.

Results: The inhibitors estimated to show high activity through different models may be proposed for further synthesis and testing of biological activity in terms of anthrax toxin inhibition and cytotoxicity testing by in vitro and in vivo assays.

Conclusion: Such an attempt is an insight of biodefense drug design against the dreadful threat to the nation due to anthrax-based terrorism and biological warfare.


Anthrax toxin targets, Bioterrorism, Computer-aided biodefense drug design, Inhibitors of lethal and edema factors, Protective antigen, Bacillus anthracis.


Department of Pharmaceutical Chemistry, Global Institute of Pharmaceutical Education and Research, Affiliated to Uttarakhand Technical University, Kashipur-244713, Department of Chemistry, Amity University, Lucknow, Division of Medicinal and Process Chemistry, CSIR-Central Drug Research Institute, Lucknow-226031

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