{{위키데이터 속성 추적}}
[[파일:FlowChart.png|섬네일|220px|가상 스크리닝의 흐름도<ref name = "Gillet_2013">{{웹 인용| vauthors = Gillet V | url = https://www.ebi.ac.uk/sites/ebi.ac.uk/files/content.ebi.ac.uk/materials/2013/131209DrugDiscovery/1_-_val_gillet_-_ligand-based_and_structure-based_virtual_screening.pdf | title = Ligand-Based and Structure-Based Virtual Screening | publisher = The University of Sheffield | year = 2013 }}</ref>]]
'''가상 스크리닝'''({{llang|en|virtual screening}}, '''VS''')은 [[약물 표적]], 일반적으로 [[단백질]] [[수용체]] 또는 [[효소]]에 결합할 가능성이 가장 높은 구조를 식별하기 위해 [[저분자]] 라이브러리를 검색하는 [[약물 발견]]에 사용되는 컴퓨터 기술이다.<ref name="pmid18600572">{{저널 인용| vauthors = Rester U | title = From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective | journal = Current Opinion in Drug Discovery & Development | volume = 11 | issue = 4 | pages = 559–68 | date = July 2008 | pmid = 18600572 }}</ref><ref name="pmid18084917">{{서적 인용| vauthors = Rollinger JM, Stuppner H, Langer T | title = Natural Compounds as Drugs Volume I | chapter = Virtual screening for the discovery of bioactive natural products | journal = Progress in Drug Research. Fortschritte der Arzneimittelforschung. Progrès des Recherches Pharmaceutiques | volume = 65 | issue = 211 | pages = 211, 213–49 | year = 2008 | pmid = 18084917 | doi = 10.1007/978-3-7643-8117-2_6 | isbn = 978-3-7643-8098-4 | series = Progress in Drug Research | pmc = 7124045 }}</ref>

가상 스크리닝은 컴퓨터 프로그램을 사용하여 "매우 큰 화합물 라이브러리를 자동으로 평가"하는 것으로 정의되었다.<ref name="Walters_1998">{{저널 인용|vauthors=Walters WP, Stahl MT, Murcko MA | title = Virtual screening – an overview | journal =Drug Discov. Today | volume = 3 | issue = 4 | pages = 160–178 | year = 1998| doi = 10.1016/S1359-6446(97)01163-X }}</ref> 이 정의에서 알 수 있듯이 가상 스크리닝은 10<sup>60</sup>개 이상의 상상할 수 있는 화합물의 막대한 [[화학 공간]]을 합성, 구매, 테스트할 수 있는 관리 가능한 숫자로 필터링할 수 있는 방법에 초점을 맞춘 숫자 게임이었다.<ref name="Bohacek_1996">{{저널 인용|vauthors=Bohacek RS, McMartin C, Guida WC | title = The art and practice of structure-based drug design: a molecular modeling perspective | journal = Med. Res. Rev. | volume = 16 | issue = 1 | pages = 3–50 | year = 1996| doi = 10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6 | pmid = 8788213 }}</ref>

== 같이 보기 ==
* [[약물 표적]]
* [[약물 발견]]

== 각주 ==
{{각주}}

== 더 읽을거리 ==
{{참고 자료 시작|32em}}
* {{저널 인용| vauthors = Melagraki G, Afantitis A, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O | title = Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening | journal = Journal of Computer-Aided Molecular Design | volume = 21 | issue = 5 | pages = 251–67 | date = May 2007 | pmid = 17377847 | doi = 10.1007/s10822-007-9112-4 | bibcode = 2007JCAMD..21..251M | s2cid = 19563229 | url = https://www.semanticscholar.org/paper/9eda6c05d147bc32571ea7155f7b694fe9657c3c }}
* {{저널 인용| vauthors = Afantitis A, Melagraki G, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O | title = Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques | journal = Journal of Computer-Aided Molecular Design | volume = 20 | issue = 2 | pages = 83–95 | date = February 2006 | pmid = 16783600 | doi = 10.1007/s10822-006-9038-2 | citeseerx = 10.1.1.716.8148 | bibcode = 2006JCAMD..20...83A | s2cid = 21523436 }}
* {{저널 인용| vauthors = Eckert H, Bajorath J | title = Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches | journal = Drug Discovery Today | volume = 12 | issue = 5–6 | pages = 225–33 | date = March 2007 | pmid = 17331887 | doi = 10.1016/j.drudis.2007.01.011 }}
* {{저널 인용| vauthors = Willett P | title = Similarity-based virtual screening using 2D fingerprints | journal = Drug Discovery Today | volume = 11 | issue = 23–24 | pages = 1046–53 | date = December 2006 | pmid = 17129822 | doi = 10.1016/j.drudis.2006.10.005 | url = http://eprints.whiterose.ac.uk/3605/1/willettp_DDT_review.pdf | type = Submitted manuscript }}
* {{저널 인용|vauthors=Fara DC, Oprea TI, Prossnitz ER, Bologa CG, Edwards BS, Sklar LA | title = Integration of virtual and physical screening | journal = Drug Discovery Today: Technologies  | volume = 3 | issue = 4 | pages = 377–385 | year = 2006| doi = 10.1016/j.ddtec.2006.11.003 | pmc = 7105924 }}
* {{저널 인용|vauthors=Muegge I, Oloffa S | title = Advances in virtual screening | journal = Drug Discovery Today: Technologies  | volume = 3 | issue = 4 | pages = 405–411 | year = 2006| doi = 10.1016/j.ddtec.2006.12.002 | pmc = 7105922 }}
* {{저널 인용| vauthors = Schneider G | title = Virtual screening: an endless staircase? | journal = Nature Reviews. Drug Discovery | volume = 9 | issue = 4 | pages = 273–6 | date = April 2010 | pmid = 20357802 | doi = 10.1038/nrd3139 | s2cid = 205477076 | url = https://www.semanticscholar.org/paper/766fbe3b29233cad79d902f96d31430fa62187df }}
{{참고 자료 끝}}

== 외부 링크 ==
* [http://www.vls3d.com/ VLS3D] – list of over 2000 databases, online and standalone ''in silico'' tools

[[분류:생물정보학]]
[[분류:약물 발견]]
[[분류:화학정보학]]
[[분류:동물 실험의 대안]]