MX2015016822A - Obtencion de un ligando terapeutico mejorado. - Google Patents

Obtencion de un ligando terapeutico mejorado.

Info

Publication number
MX2015016822A
MX2015016822A MX2015016822A MX2015016822A MX2015016822A MX 2015016822 A MX2015016822 A MX 2015016822A MX 2015016822 A MX2015016822 A MX 2015016822A MX 2015016822 A MX2015016822 A MX 2015016822A MX 2015016822 A MX2015016822 A MX 2015016822A
Authority
MX
Mexico
Prior art keywords
ligand
binding site
atom
obtaining
molecular
Prior art date
Application number
MX2015016822A
Other languages
English (en)
Inventor
Terence Seward Baker
Alastair David Griffiths Lawson
Xiaofeng Liu
Jiye Shi
Original Assignee
Ucb Biopharma Sprl
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 Ucb Biopharma Sprl filed Critical Ucb Biopharma Sprl
Publication of MX2015016822A publication Critical patent/MX2015016822A/es

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B5/00—ICT specially adapted for modelling or simulations in systems biology, e.g. gene-regulatory networks, protein interaction networks or metabolic networks
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K16/00—Immunoglobulins [IGs], e.g. monoclonal or polyclonal antibodies
    • C07K16/18—Immunoglobulins [IGs], e.g. monoclonal or polyclonal antibodies against material from animals or humans
    • C07K16/24—Immunoglobulins [IGs], e.g. monoclonal or polyclonal antibodies against material from animals or humans against cytokines, lymphokines or interferons
    • C07K16/244—Interleukins [IL]
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • 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
    • 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
    • G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K2317/00—Immunoglobulins specific features
    • C07K2317/50—Immunoglobulins specific features characterized by immunoglobulin fragments
    • C07K2317/55—Fab or Fab'
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K2317/00—Immunoglobulins specific features
    • C07K2317/70—Immunoglobulins specific features characterized by effect upon binding to a cell or to an antigen
    • C07K2317/76—Antagonist effect on antigen, e.g. neutralization or inhibition of binding
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
    • Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
    • Y02A—TECHNOLOGIES FOR ADAPTATION TO CLIMATE CHANGE
    • Y02A90/00—Technologies having an indirect contribution to adaptation to climate change
    • Y02A90/10—Information and communication technologies [ICT] supporting adaptation to climate change, e.g. for weather forecasting or climate simulation

Landscapes

  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Theoretical Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • General Health & Medical Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Biophysics (AREA)
  • Computing Systems (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Medical Informatics (AREA)
  • Evolutionary Biology (AREA)
  • Biotechnology (AREA)
  • Molecular Biology (AREA)
  • Physiology (AREA)
  • Organic Chemistry (AREA)
  • Software Systems (AREA)
  • Databases & Information Systems (AREA)
  • Immunology (AREA)
  • Biochemistry (AREA)
  • Genetics & Genomics (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Peptides Or Proteins (AREA)
  • Nitrogen And Oxygen Or Sulfur-Condensed Heterocyclic Ring Systems (AREA)
  • Steroid Compounds (AREA)

Abstract

Métodos y aparatos asociados que implican el diseño de un ligando ab initio que se unirá a un sitio de unión de un objetivo macromolecular, o de la identificación de una modificación a un ligando para la mejora de la afinidad del ligando a un sitio de unión de un objetivo macromolecular, que comprende el uso de información sobre los contactos de átomo a átomo intermoleculares o intramoleculares sin unión, o a extraídos de una base de datos de macromoléculas biológicas para identificar regiones favorecidas adyacentes al sitio de unión para tipos de átomos particulares y la modificación de un ligando candidato para aumentar la intersección entre los átomos del ligando candidato y las regiones favorecidas. Uno o más pasos de los métodos pueden ser realizados por una computadora.
MX2015016822A 2013-06-13 2014-06-13 Obtencion de un ligando terapeutico mejorado. MX2015016822A (es)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
GBGB1310544.0A GB201310544D0 (en) 2013-06-13 2013-06-13 Obtaining an improved therapeutic ligand
PCT/EP2014/062478 WO2014198951A2 (en) 2013-06-13 2014-06-13 Obtaining an improved therapeutic ligand

Publications (1)

Publication Number Publication Date
MX2015016822A true MX2015016822A (es) 2016-04-13

Family

ID=48914497

Family Applications (1)

Application Number Title Priority Date Filing Date
MX2015016822A MX2015016822A (es) 2013-06-13 2014-06-13 Obtencion de un ligando terapeutico mejorado.

Country Status (15)

Country Link
US (2) US20160125124A1 (es)
EP (1) EP3008648B1 (es)
JP (1) JP6484612B2 (es)
KR (1) KR20160019504A (es)
CN (1) CN105308602B (es)
AU (1) AU2014280055A1 (es)
BR (1) BR112015031171A2 (es)
CA (1) CA2914726A1 (es)
CL (1) CL2015003591A1 (es)
GB (1) GB201310544D0 (es)
HK (1) HK1218579A1 (es)
MX (1) MX2015016822A (es)
RU (1) RU2016100234A (es)
SG (2) SG10201707917UA (es)
WO (1) WO2014198951A2 (es)

Families Citing this family (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
KR20220160069A (ko) 2020-03-27 2022-12-05 유씨비 바이오파마 에스알엘 자율적 노브 도메인 펩티드
CN113380320B (zh) * 2021-07-01 2022-03-15 中国海洋大学 基于阳性化合物残基贡献相似度的分子对接结果筛选方法
CN114530215B (zh) * 2022-02-18 2023-03-28 北京有竹居网络技术有限公司 设计配体分子的方法和装置
CN115171774A (zh) * 2022-05-17 2022-10-11 慧壹科技(上海)有限公司 一种抗体/大分子药物的亲和力改造系统和方法

Family Cites Families (19)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5331573A (en) * 1990-12-14 1994-07-19 Balaji Vitukudi N Method of design of compounds that mimic conformational features of selected peptides
ATE199109T1 (de) 1992-03-27 2001-02-15 Akiko Itai Verfahren zur analyse der struktur von stabilen zusammengesetzten biopolymerligandmolekuelen
GB0011818D0 (en) * 2000-05-16 2000-07-05 Inpharmatica Ltd Lead molecule generation
US20020025535A1 (en) 2000-06-15 2002-02-28 Diller David J. Prioritization of combinatorial library screening
WO2002016930A2 (en) 2000-08-21 2002-02-28 Ribotargets Limited Computer-based modelling of ligand/receptor structures
AU2001297015A1 (en) * 2000-10-15 2002-04-29 Ortho-Mcneil Pharmaceutical, Inc. Improved ligand binding assays for vanilloid receptors
CN100374456C (zh) * 2000-12-29 2008-03-12 萨文特医药公司 用于选择性癌症治疗的特异性人抗体
US20030148391A1 (en) * 2002-01-24 2003-08-07 Salafsky Joshua S. Method using a nonlinear optical technique for detection of interactions involving a conformational change
US20040229290A1 (en) 2003-05-07 2004-11-18 Duke University Protein design for receptor-ligand recognition and binding
US20060105390A1 (en) * 2003-10-29 2006-05-18 Yi Zhang Method of characterizing heterogeneity in receptor-ligand interactions and related method of assay signal histogram transformation
JP2005181104A (ja) * 2003-12-19 2005-07-07 Hitachi Ltd 高精度ドッキングスコアリング方法
US8145430B2 (en) 2005-03-11 2012-03-27 Schrodinger, Llc Predictive scoring function for estimating binding affinity
GB0620729D0 (en) 2006-10-18 2006-11-29 Ucb Sa Biological products
US20080319677A1 (en) * 2007-05-24 2008-12-25 Peter Hrnciar Systems and Methods for Designing Molecules with Affinity for Therapeutic Target Proteins
EP2216429A4 (en) 2007-11-12 2011-06-15 In Silico Sciences Inc SILICO SCREENING SYSTEM AND SILICO SCREENING METHOD
GB0807413D0 (en) 2008-04-23 2008-05-28 Ucb Pharma Sa Biological products
JPWO2010110288A1 (ja) * 2009-03-24 2012-09-27 株式会社カネカ 免疫グロブリンに親和性を有するタンパク質および免疫グロブリン結合性アフィニティーリガンド
US9023876B2 (en) * 2010-07-08 2015-05-05 Adhaere Pharmaceuticals, Inc. Compounds and methods for regulating integrins
EA037071B1 (ru) 2011-01-14 2021-02-02 Юсб Байофарма Срл Молекулы антител, которые связываются с il-17a и il-17f

Also Published As

Publication number Publication date
US20210005277A1 (en) 2021-01-07
KR20160019504A (ko) 2016-02-19
AU2014280055A1 (en) 2016-01-28
RU2016100234A3 (es) 2018-03-23
WO2014198951A3 (en) 2015-08-27
GB201310544D0 (en) 2013-07-31
US20160125124A1 (en) 2016-05-05
EP3008648B1 (en) 2023-05-10
SG10201707917UA (en) 2017-10-30
CA2914726A1 (en) 2014-12-18
BR112015031171A2 (pt) 2017-07-25
WO2014198951A2 (en) 2014-12-18
CL2015003591A1 (es) 2016-08-05
JP2016527481A (ja) 2016-09-08
SG11201510084TA (en) 2016-01-28
EP3008648A2 (en) 2016-04-20
CN105308602B (zh) 2019-09-27
US11942188B2 (en) 2024-03-26
RU2016100234A (ru) 2018-02-06
HK1218579A1 (zh) 2017-02-24
CN105308602A (zh) 2016-02-03
JP6484612B2 (ja) 2019-03-13

Similar Documents

Publication Publication Date Title
EA201890925A3 (ru) Способы и аппараты для прогнозирования риска рака предстательной железы и объема предстательной железы
MX2016004865A (es) Metodo y dispositivo para analizar relacion social.
EP3285178A4 (en) Data query method in crossing-partition database, and crossing-partition query device
WO2015094995A3 (en) Gene signature biomarkers of tumor response to pd-1 antagonists
EP2804372A4 (en) DATA PROCESSING DEVICE, METHOD FOR DATA PROCESSING, AND COMPUTER PROGRAM
WO2012159025A3 (en) Chromosome conformation analysis
MX2017005368A (es) Metodo y dispositivo para la verificacion de privilegios.
EP3021203A4 (en) Information processing device, information processing method, and computer program
MX2015016822A (es) Obtencion de un ligando terapeutico mejorado.
MX2015015593A (es) Placa de osteosintesis y sistema para osteosintesis.
GB2502715A (en) Malware Detection
TWI799459B (zh) 用於執行分析量測之方法、行動裝置、和套組及其相關電腦程式
EP3021205A4 (en) Information processing device, information processing method, and computer program
BR112014030582A2 (pt) dispositivo de processamento de informação, servidor, método de processamento de informação, e, programa.
GB201203233D0 (en) Method and device for a meta data fragment from a metadata component associated with multimedia data
EP3048605A4 (en) Information processing device, information processing method, and computer program
EP2778953A4 (en) CODED SEARCH DATABASE DEVICE, METHOD FOR ADDING AND DELETING DATA FOR CODED SEARCH, AND ADD / REMOVE PROGRAM
GB2541143A (en) Variant annotation, analysis and selection tool
BR112014026440A8 (pt) análises, métodos e aparelhos para avaliação de disrupção de rna.
MX357642B (es) Metodo y dispositivo para seleccionar informacion.
SG11201708102YA (en) System, method and computer program for executing monetary transactions based on social information
EP3029879A4 (en) Information processing device, information processing method, and computer program
DK2821931T3 (da) Verificeringsapplikation, fremgangsmåde, elektronisk indretning og computerapplikation.
EP3526695A4 (en) ARCHITECTURE, METHOD AND APPARATUS FOR APPLICATION OF COLLECTION AND DISPLAY OF COMPUTER FILE METADATA
EP3251029A4 (en) Analysis engine and method for analyzing pre-generated data reports