WO2012120438A3 - Systèmes et procédés destinés à être utilisés dans la conception de médicaments moléculaires - Google Patents

Systèmes et procédés destinés à être utilisés dans la conception de médicaments moléculaires Download PDF

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Publication number
WO2012120438A3
WO2012120438A3 PCT/IB2012/051029 IB2012051029W WO2012120438A3 WO 2012120438 A3 WO2012120438 A3 WO 2012120438A3 IB 2012051029 W IB2012051029 W IB 2012051029W WO 2012120438 A3 WO2012120438 A3 WO 2012120438A3
Authority
WO
WIPO (PCT)
Prior art keywords
methods
systems
drug design
molecular drug
molecular
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Ceased
Application number
PCT/IB2012/051029
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English (en)
Other versions
WO2012120438A2 (fr
Inventor
Abdelkrim RACHEDI
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
University of the Witwatersrand, Johannesburg
Original Assignee
University of the Witwatersrand, Johannesburg
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by University of the Witwatersrand, Johannesburg filed Critical University of the Witwatersrand, Johannesburg
Publication of WO2012120438A2 publication Critical patent/WO2012120438A2/fr
Publication of WO2012120438A3 publication Critical patent/WO2012120438A3/fr
Anticipated expiration legal-status Critical
Ceased legal-status Critical Current

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Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50—Molecular design, e.g. of drugs

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  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Chemical & Material Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Medicinal Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Physics & Mathematics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Polyesters Or Polycarbonates (AREA)
  • Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
  • Investigating Or Analysing Biological Materials (AREA)

Abstract

La présente invention porte sur des procédés et des systèmes destinés à être utilisés dans la conception de médicaments moléculaires. La présente invention porte sur un système comprenant une base de données de séquences, une base de données de ligands et un processeur. La présente invention porte également sur des procédés d'utilisation du système.
PCT/IB2012/051029 2011-03-04 2012-03-05 Systèmes et procédés destinés à être utilisés dans la conception de médicaments moléculaires Ceased WO2012120438A2 (fr)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
ZA201101683 2011-03-04
ZA2011/01683 2011-03-04

Publications (2)

Publication Number Publication Date
WO2012120438A2 WO2012120438A2 (fr) 2012-09-13
WO2012120438A3 true WO2012120438A3 (fr) 2013-04-11

Family

ID=45908065

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/IB2012/051029 Ceased WO2012120438A2 (fr) 2011-03-04 2012-03-05 Systèmes et procédés destinés à être utilisés dans la conception de médicaments moléculaires

Country Status (1)

Country Link
WO (1) WO2012120438A2 (fr)

Families Citing this family (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN114398585B (zh) * 2021-12-08 2025-07-01 上海智药科技有限公司 一种多元均相计算系统
CN117789859B (zh) * 2023-12-28 2024-09-06 苏州腾迈医药科技有限公司 分子力场展示方法及装置、介质

Non-Patent Citations (3)

* Cited by examiner, † Cited by third party
Title
BLEICHER K. H. ET AL: "A guide to drug discovery: Hit and lead generation: beyond high-throughput screening", NATURE REVIEWS DRUG DISCOVERY, vol. 2, no. 5, 1 May 2003 (2003-05-01), pages 369 - 378, XP055051971, ISSN: 1474-1776, DOI: 10.1038/nrd1086 *
BOCK J. R. ET AL: "Virtual screen for ligands of orphan G protein-coupled receptors.", JOURNAL OF CHEMICAL INFORMATION AND MODELING 2005 SEP-OCT, vol. 45, no. 5, September 2005 (2005-09-01), pages 1402 - 1414, XP008159836, ISSN: 1549-9596 *
SUDHA K. N. ET AL: "Virtual screening for novel COX-2 inhibitors using the ZINC database", BIOINFORMATION, vol. 2, no. 8, 1 January 2008 (2008-01-01), pages 325 - 329, XP055051975, ISSN: 0973-8894, DOI: 10.6026/97320630002325 *

Also Published As

Publication number Publication date
WO2012120438A2 (fr) 2012-09-13

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