Journal article 610 views 66 downloads
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
Valeria Catalani,
Giuseppe Floresta,
Michelle Botha,
John Martin Corkery,
Amira Guirguis ,
Alessandro Vento,
Vincenzo Abbate,
Fabrizio Schifano
Chemical Biology and Drug Design, Volume: 101, Issue: 1, Pages: 40 - 51
Swansea University Author: Amira Guirguis
-
PDF | Accepted Manuscript
Download (1.36MB) -
PDF | Supplemental material
Download (296.71KB)
DOI (Published version): 10.1111/cbdd.14119
Abstract
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
Published in: | Chemical Biology and Drug Design |
---|---|
ISSN: | 1747-0277 1747-0285 |
Published: |
Wiley
2022
|
Online Access: |
Check full text
|
URI: | https://cronfa.swan.ac.uk/Record/cronfa60424 |
first_indexed |
2022-07-12T15:04:49Z |
---|---|
last_indexed |
2024-11-14T12:17:19Z |
id |
cronfa60424 |
recordtype |
SURis |
fullrecord |
<?xml version="1.0"?><rfc1807><datestamp>2024-07-12T15:44:54.7665659</datestamp><bib-version>v2</bib-version><id>60424</id><entry>2022-07-08</entry><title>In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines</title><swanseaauthors><author><sid>b49270b9a0d580cf4f31f9a1b6c93f87</sid><ORCID>0000-0001-8255-0660</ORCID><firstname>Amira</firstname><surname>Guirguis</surname><name>Amira Guirguis</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2022-07-08</date><deptcode>MEDS</deptcode><abstract/><type>Journal Article</type><journal>Chemical Biology and Drug Design</journal><volume>101</volume><journalNumber>1</journalNumber><paginationStart>40</paginationStart><paginationEnd>51</paginationEnd><publisher>Wiley</publisher><placeOfPublication/><isbnPrint/><isbnElectronic/><issnPrint>1747-0277</issnPrint><issnElectronic>1747-0285</issnElectronic><keywords>Recreational drugs; Designer benzodiazepines; 3D-QSAR; Scaffold replacement; MedChem; MOE® ; Forge™</keywords><publishedDay>5</publishedDay><publishedMonth>9</publishedMonth><publishedYear>2022</publishedYear><publishedDate>2022-09-05</publishedDate><doi>10.1111/cbdd.14119</doi><url/><notes/><college>COLLEGE NANME</college><department>Medical School</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>MEDS</DepartmentCode><institution>Swansea University</institution><apcterm/><funders/><projectreference/><lastEdited>2024-07-12T15:44:54.7665659</lastEdited><Created>2022-07-08T18:43:04.7450792</Created><path><level id="1">Faculty of Medicine, Health and Life Sciences</level><level id="2">Swansea University Medical School - Medicine</level></path><authors><author><firstname>Valeria</firstname><surname>Catalani</surname><order>1</order></author><author><firstname>Giuseppe</firstname><surname>Floresta</surname><order>2</order></author><author><firstname>Michelle</firstname><surname>Botha</surname><order>3</order></author><author><firstname>John Martin</firstname><surname>Corkery</surname><order>4</order></author><author><firstname>Amira</firstname><surname>Guirguis</surname><orcid>0000-0001-8255-0660</orcid><order>5</order></author><author><firstname>Alessandro</firstname><surname>Vento</surname><order>6</order></author><author><firstname>Vincenzo</firstname><surname>Abbate</surname><order>7</order></author><author><firstname>Fabrizio</firstname><surname>Schifano</surname><order>8</order></author></authors><documents><document><filename>60424__24563__6c6690db48a54c18b428400bfac35c5e.pdf</filename><originalFilename>60424_AAM.pdf</originalFilename><uploaded>2022-07-13T10:42:57.8207400</uploaded><type>Output</type><contentLength>1422790</contentLength><contentType>application/pdf</contentType><version>Accepted Manuscript</version><cronfaStatus>true</cronfaStatus><embargoDate>2023-07-15T00:00:00.0000000</embargoDate><copyrightCorrect>true</copyrightCorrect><language>eng</language></document><document><filename>60424__24564__38774d1dbe8441ac9136cd1224a607f1.pdf</filename><originalFilename>60424_Supplementary Material Final.pdf</originalFilename><uploaded>2022-07-13T10:43:37.6121651</uploaded><type>Output</type><contentLength>303829</contentLength><contentType>application/pdf</contentType><version>Supplemental material</version><cronfaStatus>true</cronfaStatus><embargoDate>2023-07-15T00:00:00.0000000</embargoDate><copyrightCorrect>true</copyrightCorrect><language>eng</language></document></documents><OutputDurs/></rfc1807> |
spelling |
2024-07-12T15:44:54.7665659 v2 60424 2022-07-08 In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines b49270b9a0d580cf4f31f9a1b6c93f87 0000-0001-8255-0660 Amira Guirguis Amira Guirguis true false 2022-07-08 MEDS Journal Article Chemical Biology and Drug Design 101 1 40 51 Wiley 1747-0277 1747-0285 Recreational drugs; Designer benzodiazepines; 3D-QSAR; Scaffold replacement; MedChem; MOE® ; Forge™ 5 9 2022 2022-09-05 10.1111/cbdd.14119 COLLEGE NANME Medical School COLLEGE CODE MEDS Swansea University 2024-07-12T15:44:54.7665659 2022-07-08T18:43:04.7450792 Faculty of Medicine, Health and Life Sciences Swansea University Medical School - Medicine Valeria Catalani 1 Giuseppe Floresta 2 Michelle Botha 3 John Martin Corkery 4 Amira Guirguis 0000-0001-8255-0660 5 Alessandro Vento 6 Vincenzo Abbate 7 Fabrizio Schifano 8 60424__24563__6c6690db48a54c18b428400bfac35c5e.pdf 60424_AAM.pdf 2022-07-13T10:42:57.8207400 Output 1422790 application/pdf Accepted Manuscript true 2023-07-15T00:00:00.0000000 true eng 60424__24564__38774d1dbe8441ac9136cd1224a607f1.pdf 60424_Supplementary Material Final.pdf 2022-07-13T10:43:37.6121651 Output 303829 application/pdf Supplemental material true 2023-07-15T00:00:00.0000000 true eng |
title |
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines |
spellingShingle |
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines Amira Guirguis |
title_short |
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines |
title_full |
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines |
title_fullStr |
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines |
title_full_unstemmed |
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines |
title_sort |
In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines |
author_id_str_mv |
b49270b9a0d580cf4f31f9a1b6c93f87 |
author_id_fullname_str_mv |
b49270b9a0d580cf4f31f9a1b6c93f87_***_Amira Guirguis |
author |
Amira Guirguis |
author2 |
Valeria Catalani Giuseppe Floresta Michelle Botha John Martin Corkery Amira Guirguis Alessandro Vento Vincenzo Abbate Fabrizio Schifano |
format |
Journal article |
container_title |
Chemical Biology and Drug Design |
container_volume |
101 |
container_issue |
1 |
container_start_page |
40 |
publishDate |
2022 |
institution |
Swansea University |
issn |
1747-0277 1747-0285 |
doi_str_mv |
10.1111/cbdd.14119 |
publisher |
Wiley |
college_str |
Faculty of Medicine, Health and Life Sciences |
hierarchytype |
|
hierarchy_top_id |
facultyofmedicinehealthandlifesciences |
hierarchy_top_title |
Faculty of Medicine, Health and Life Sciences |
hierarchy_parent_id |
facultyofmedicinehealthandlifesciences |
hierarchy_parent_title |
Faculty of Medicine, Health and Life Sciences |
department_str |
Swansea University Medical School - Medicine{{{_:::_}}}Faculty of Medicine, Health and Life Sciences{{{_:::_}}}Swansea University Medical School - Medicine |
document_store_str |
1 |
active_str |
0 |
published_date |
2022-09-05T02:29:36Z |
_version_ |
1821370825130901504 |
score |
11.04748 |