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AR089619A1 - DISEÑO COMPUTACIONAL PARA INHIBIDORES DE a-AMILASAS - Google Patents

DISEÑO COMPUTACIONAL PARA INHIBIDORES DE a-AMILASAS

Info

Publication number
AR089619A1
AR089619A1 ARP120105087A ARP120105087A AR089619A1 AR 089619 A1 AR089619 A1 AR 089619A1 AR P120105087 A ARP120105087 A AR P120105087A AR P120105087 A ARP120105087 A AR P120105087A AR 089619 A1 AR089619 A1 AR 089619A1
Authority
AR
Argentina
Prior art keywords
amylase inhibitors
computational design
design
compounds
amylase enzymes
Prior art date
Application number
ARP120105087A
Other languages
English (en)
Original Assignee
Embrapa Pesquisa Agropecuaria
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 Embrapa Pesquisa Agropecuaria filed Critical Embrapa Pesquisa Agropecuaria
Publication of AR089619A1 publication Critical patent/AR089619A1/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
    • G16B30/00—ICT specially adapted for sequence analysis involving nucleotides or amino acids
    • G16B30/10—Sequence alignment; Homology search
    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
    • C12N9/00—Enzymes; Proenzymes; Compositions thereof; Processes for preparing, activating, inhibiting, separating or purifying enzymes
    • C12N9/14—Hydrolases (3)
    • C12N9/24—Hydrolases (3) acting on glycosyl compounds (3.2)
    • C12N9/2402—Hydrolases (3) acting on glycosyl compounds (3.2) hydrolysing O- and S- glycosyl compounds (3.2.1)
    • C12N9/2405—Glucanases
    • C12N9/2408—Glucanases acting on alpha -1,4-glucosidic bonds
    • A—HUMAN NECESSITIES
    • A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
    • A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
    • A61P5/00—Drugs for disorders of the endocrine system
    • A61P5/48—Drugs for disorders of the endocrine system of the pancreatic hormones
    • 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
    • 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
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B30/00—ICT specially adapted for sequence analysis involving nucleotides or amino acids

Landscapes

  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • General Health & Medical Sciences (AREA)
  • Theoretical Computer Science (AREA)
  • Biotechnology (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Biophysics (AREA)
  • Medicinal Chemistry (AREA)
  • Organic Chemistry (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Analytical Chemistry (AREA)
  • Wood Science & Technology (AREA)
  • Genetics & Genomics (AREA)
  • Zoology (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Endocrinology (AREA)
  • Nuclear Medicine, Radiotherapy & Molecular Imaging (AREA)
  • Animal Behavior & Ethology (AREA)
  • Public Health (AREA)
  • Veterinary Medicine (AREA)
  • Molecular Biology (AREA)
  • Biomedical Technology (AREA)
  • General Chemical & Material Sciences (AREA)
  • Microbiology (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Diabetes (AREA)
  • Biochemistry (AREA)
  • General Engineering & Computer Science (AREA)
  • Computing Systems (AREA)
  • Enzymes And Modification Thereof (AREA)

Abstract

La presente se refiere a un método para realizar el diseño computarizado de compuestos con potencial función inhibitoria de las enzimas a-amilasas. Se brinda un enfoque especial para el diseño de compuestos inhibidores de las enzimas a-amilasas producidas por insectos que se alimentan principalmente de productos agrícolas almacenados.
ARP120105087A 2011-12-30 2012-12-28 DISEÑO COMPUTACIONAL PARA INHIBIDORES DE a-AMILASAS AR089619A1 (es)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
BRPI1107433-7A BRPI1107433B1 (pt) 2011-12-30 2011-12-30 desenho computacional para novos inibidores de alfa-amilases

Publications (1)

Publication Number Publication Date
AR089619A1 true AR089619A1 (es) 2014-09-03

Family

ID=48872842

Family Applications (1)

Application Number Title Priority Date Filing Date
ARP120105087A AR089619A1 (es) 2011-12-30 2012-12-28 DISEÑO COMPUTACIONAL PARA INHIBIDORES DE a-AMILASAS

Country Status (3)

Country Link
AR (1) AR089619A1 (es)
BR (1) BRPI1107433B1 (es)
WO (1) WO2013110147A1 (es)

Families Citing this family (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN114996022B (zh) * 2022-07-18 2024-03-08 山西华美远东科技有限公司 一种多通道可用的大数据实时决策系统
WO2024102423A1 (en) * 2022-11-09 2024-05-16 The Cleveland Clinic Foundation Accurate prediction of molecular properties and drug targets using a self-supervised image representation learning framework

Family Cites Families (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7383135B1 (en) * 1998-05-04 2008-06-03 Vertex Pharmaceuticals Incorporated Methods of designing inhibitors for JNK kinases
US20020025535A1 (en) * 2000-06-15 2002-02-28 Diller David J. Prioritization of combinatorial library screening
EP1664285A2 (en) * 2003-08-22 2006-06-07 Novozymes A/S Fungal alpha-amylase variants
BRPI0801904A2 (pt) * 2008-05-15 2010-01-12 Univ Fed Lavras compostos inibidores da enzima epsp sintase como ingredientes ativos de herbicidas

Also Published As

Publication number Publication date
WO2013110147A1 (pt) 2013-08-01
BRPI1107433A2 (pt) 2014-09-16
BRPI1107433B1 (pt) 2021-01-26

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