An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors

6533b7d4fe1ef96bd1261f6a

RESEARCH PRODUCT

An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors

Antonio Rescifina Rita Chiaramonte Giuseppe Floresta Davide Gentile Giulia Letizia Mauro Vincenzo Patamia Michele Vecchio

subject

0301 basic medicine Models Molecular Botulinum Toxins Databases Factual Neuromuscular transmission Quantitative Structure-Activity Relationship Pharmacology medicine.disease_cause 01 natural sciences Type A lcsh:Chemistry Models Clostridium botulinum botulinum neurotoxin A Botulism Botulinum Toxins Type A lcsh:QH301-705.5 Spectroscopy food and beverages General Medicine Botulinum neurotoxin Computer Science Applications docking Pharmacophore Quantitative structure–activity relationship Static Electricity Chemical botulinum neurotoxin A virtual screening docking 3D-QSAR molecular dynamics Molecular Dynamics Simulation Article Catalysis Inorganic Chemistry Small Molecule Libraries 03 medical and health sciences Databases medicine Physical and Theoretical Chemistry Molecular Biology Factual 3D-QSAR Virtual screening 010405 organic chemistry business.industry fungi Organic Chemistry Molecular Hydrogen Bonding medicine.disease virtual screening molecular dynamics 0104 chemical sciences 030104 developmental biology Models Chemical lcsh:Biology (General)lcsh:QD1-999 Docking (molecular)Clostridium botulinum business

description

Botulinum toxins are neurotoxins produced by Clostridium botulinum. This toxin can be lethal for humans as a cause of botulism

year	journal	country	edition	language
2020-12-12	International Journal of Molecular Sciences

10.3390/ijms21249470 https://www.mdpi.com/1422-0067/21/24/9470

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