Scribd Logo
Upload

Welcome to Scribd!

  • Bioinformatics PRESENTATION

    Uploaded by

    Manuel B
    3 views12 pages
    This document provides an overview of bioinformatics and summarizes several key applications: 1) Molecular docking can be used for drug discovery by predicting how drug molecules bind to protein targets. Other applications include pharmacokinetics modeling and microbial strain identification. 2) Protein structure prediction involves building protein models and analyzing properties like secondary structure and Ramachandran plots. 3) Phylogenetics analyzes evolutionary relationships between species. Several databases and online tools are referenced for applications like protein structure prediction, molecular docking, physicochemical property analysis, and identifying protein domains and sequence databases.

    Original Description:

    A presentation on Bioinformatics.

    Copyright

    © © All Rights Reserved

    Available Formats

    PPTX, PDF, TXT or read online from Scribd

    Did you find this document useful?

    Is this content inappropriate?

    Report this Document
    This document provides an overview of bioinformatics and summarizes several key applications: 1) Molecular docking can be used for drug discovery by predicting how drug molecules bind to protein targets. Other applications include pharmacokinetics modeling and microbial strain identification. 2) Protein structure prediction involves building protein models and analyzing properties like secondary structure and Ramachandran plots. 3) Phylogenetics analyzes evolutionary relationships between species. Several databases and online tools are referenced for applications like protein structure prediction, molecular docking, physicochemical property analysis, and identifying protein domains and sequence databases.

    Copyright:

    © All Rights Reserved
    Download as PPTX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    3 views12 pages

    Bioinformatics PRESENTATION

    Uploaded by

    Manuel B
    This document provides an overview of bioinformatics and summarizes several key applications: 1) Molecular docking can be used for drug discovery by predicting how drug molecules bind to protein targets. Other applications include pharmacokinetics modeling and microbial strain identification. 2) Protein structure prediction involves building protein models and analyzing properties like secondary structure and Ramachandran plots. 3) Phylogenetics analyzes evolutionary relationships between species. Several databases and online tools are referenced for applications like protein structure prediction, molecular docking, physicochemical property analysis, and identifying protein domains and sequence databases.

    Copyright:

    © All Rights Reserved
    Download as PPTX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 12

    bioinformatics

    SIWES LECTURE

    BY
    IBEH, RAYMOND C (B.Sc, M.Sc, Ph.D (In-view))
    What can we do with Bioinformatics?
    Molecular docking (drug Predicting protein domains
    discovery) Predicting secondary structure
    Pharmacokinetics (ADME) of protein
    Identification of strains
    (microbes)
    Predicting protein function
    Predicting Bioavailability

    CANONICAL SMILES
    • CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C
    (CO3)(C)O)NC)O)N)N)N)NC Gentamicin
    • CC1CCC2C(C(OC3C24C1CCC(O3)
    (OO4)C)OC(=O)CCC(=O)O)C Artesunate
    • CCCCN(CCCC)CC(C1=CC(=CC2=C1C3=C(C2
    =CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O
    Lumefantrine
    • C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC
    NCC4)F)C(=O)O Ciprofloxacin
    • CCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)C)C
    erteether
    https://pubchem.ncbi.nlm.nih.gov/
    http://www.swissadme.ch/
    Molecular docking (drug discovery)

    • https://discover.3ds.com/discovery-studio-visualizer-download

    • https://vina.scripps.edu/downloads/

    • https://ccsb.scripps.edu/mgltools/downloads/
    • https://pymol.org/2/
    Protein Structure/Ramachadran plot
    You can build your own Protein
    (Protein Modelling)
    https://swissmodel.expasy.org/inte
    ractive/3r6XEc/

    https://swissmodel.expasy.org/interactive
    Protein Structure/Ramachadran plot

    https://swissmodel.expasy.org/
    https://www.ncbi.nlm.nih.gov/
    GLUCOKINASE FASTA SEQUENCE
    MLDDRARMEAAKKEKVEQILAEFQLQEEDLKKVMRRMQKEMDRGLRLETHEEASVKMLPTYVRSTPEGSE
    VGDFLSLDLGGTNFRVMLVKVGEGEEGQWSVKTKHQMYSIPEDAMTGTAEMLFDYISECISDFLDKHQMK
    HKKLPLGFTFSFPVRHEDIDKGILLNWTKGFKASGAEGNNVVGLLRDAIKRRGDFEMDVVAMVNDTVATM
    ISCYYEDHQCEVGMIVGTGCNACYMEEMQNVELVEGDEGRMCVNTEWGAFGDSGELDEFLLEYDRLVDES
    SANPGQQLYEKLIGGKYMGELVRLVLLRLVDENLLFHGEASEQLRTRGAFETRFVSQVESDTGDRKQIYN
    ILSTLGLRPSTTDCDIVRRACESVSTRAAHMCSAGLAGVINRMRESRSEDVMRITVGVDGSVYKLHPSFK
    ERFHASVRRLTPSCEITFIESEEGSGRGAALVSAVACK
    PHYLOGENETICS
    Evolutionary relationship between • https://www.ebi.ac.uk/Tools/ms
    species. a/clustalo/
    PHYSICOCHEMICAL PROPERTIES OF
    PROTEINS
    •ExpasY- ProtParam
    https://web.expasy.org/protparam/

    •PePDraw https://pepdraw.com/
    Protein domains
    • Ebi-InterPro https://www.ebi.ac.uk/interpro/

    • EMBL-SMART http://smart.embl-heidelberg.de/

    • Pfam http://pfam.xfam.org/
    Database for bioinformatics
    Protein sequence Structure
    • Uniprot
    • PDB
    • PIR
    • SwissProt • CATH
    • SCOPE
    Interaction
    • Biogrid
    • STRING
    “Even if we can’t practiced modern science, we should know
    where science is”

    Prof. Chukwunonso ECC Ejike


    •Thank you for listening

    You might also like