In silico studies on recreational drugs: 3D quantitative structure activity relationship prediction of classified and de novo designer benzodiazepines

Author:

Catalani Valeria1,Floresta Giuseppe2,Botha Michelle1,Corkery John Martin1,Guirguis Amira13,Vento Alessandro4,Abbate Vincenzo2,Schifano Fabrizio1

Affiliation:

1. Psychopharmacology, Drug Misuse and Novel Psychoactive Substances Research Unit, School of Life and Medical Sciences University of Hertfordshire Hatfield UK

2. Department of Analytical, Environmental and Forensic Sciences King's College London London UK

3. Swansea University Medical School, The Grove Swansea University Swansea UK

4. Department of Psychology Guglielmo Marconi University Rome Italy

Publisher

Wiley

Subject

Molecular Medicine,Biochemistry,Drug Discovery,Pharmacology,Organic Chemistry

Reference58 articles.

1. ACMD. (2020a).Addendum to ACMD's report on novel benzodiazepines. Retrieved January 31 2022 fromhttps://www.gov.uk/government/publications/novel‐benzodiazepines‐prevalence‐and‐harms‐in‐the‐uk/addendum‐to‐acmds‐report‐on‐novel‐benzodiazepines

2. ACMD. (2020b).Novel benzodiazepines a review of the evidence of use and harms of novel benzodiazepines. Retrieved fromhttps://www.gov.uk

3. How does α1Histidine102 affect the binding of modulators to α1β2γ2 GABAA receptors? molecular insights from in silico experiments

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