AutoDock | How to Download Drugs Structure from ZINC Database 4 Virtual Screening of Drugs (Part-1)

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  • Опубликовано: 8 ноя 2024

Комментарии • 23

  • @bioinfoxpert
    @bioinfoxpert  3 года назад

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  • @bioinfoxpert
    @bioinfoxpert  3 года назад +3

    Please let us know about your comments. Your valuable input matters a lot to us

  • @ShabirAhmad-zn1ft
    @ShabirAhmad-zn1ft 3 года назад +1

    Thank you so much. I am beginner in Virtual Screening. These tutorial is very simple and understandable for everyone like me as a beginner.

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      Thank you so much dear for appreciation. Please stay with us, next week we will come up with Autodock vina tutorials which will be followed by the tutorial of virtual screening using Autodock vina. Moreover, there are some online tools which can also be used for virtual screenings. We are also planning to come up with them. If you have any question than please let us know. We will try to resolve your query to our best capacity

    • @ShabirAhmad-zn1ft
      @ShabirAhmad-zn1ft 3 года назад +1

      @@bioinfoxpert Thank you so much again. My target protein have no PDB structure. I modelled it with Modeller. My first query is how to start with virtual screening using Zinc database to filter the database for final screening with my target protein.

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      Dear brother, thanks for your inquiry. First, we will recommend you to make a prediction of your 3D structure with I-TASSER rather than modeller. Currently, I-TASSER is the best available option in terms of accuracy. Secondly, get an idea that the main class of your protein. Is the protein is membrane receptor or nuclear receptor or transcription factor? Once you have an idea about the major class of your protein then you can deep dive into ZINC to download the drug dataset for virtual screening.

  • @jameelabduljalil25
    @jameelabduljalil25 3 года назад +1

    Thanks for such videos..
    I am preparing a proposal of my MSc work and using your videos to speed up the process of getting into the right spot in the literature for further details.
    Thnx again.

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      It's great pleasure for us to hear that our videos are helping you out. May you have blessed journey ahead. In case of any query just let us know, we will try to provide you suggestions to our best capacity

    • @jameelabduljalil25
      @jameelabduljalil25 3 года назад +1

      @@bioinfoxpert
      That's really kind of you.
      Thnx a lot.

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      You are always welcome

  • @mehwishahsan2194
    @mehwishahsan2194 3 года назад +1

    Much appreciated for the hardwork you guys put in for making these things easier for us to understand. 👑

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      Many thanks for your nice comment

  • @KrithikaS-l5u
    @KrithikaS-l5u Год назад +2

    I have a problem while downloading the file. After I have selected multiple molecules(this video showed us how to download "for sale" molecules. I similarly wanted to download the FDA approved drugs). Now when I click on download button>sdf. The download starts and it keeps loading and after a few mins it says "unable to connect to server". I have tried multiple borwsers and the problem always persists when I'm downloading molecules in bulk.

  • @areebakhubaib212
    @areebakhubaib212 3 года назад +1

    This is more helpful than you realize.

  • @lutfunchowdhury5711
    @lutfunchowdhury5711 3 года назад +1

    Waiting for the next video..

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +1

      Lutfun Chowdhury many thanks for such comment. Believe us that this comment rise our moral to provide our best. We are making our next video on Autodock vina for ligand protein docking. After this we will make video on virtual screening using Vina . Hopefully, you will like these videos

  • @biashah
    @biashah 2 года назад +1

    Helping a lot 🔥

  • @jameelabduljalil25
    @jameelabduljalil25 3 года назад +1

    Can we predict a 3D structure for a ligand to fit a specific pocket on a protein?
    No ligand is known to fit that pocket.

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      Dear Jameel, Sorry for being late. Yes we can do so by using QSAR. Through this technique you can make the ligand better docker. By the way, we have a one very interesting course available at udemy to learn bioinformatics. There is a good amount of information there. We hope you will like to join us. Please click below to get access www.udemy.com/course/learn-bioinformatics/?referralCode=35C6DA89E7B61CA56DCC

  • @magicdiamond8767
    @magicdiamond8767 Год назад +1

    If I download in sdf how can convert ligands to mdb format for using in moe ?

    • @bioinfoxpert
      @bioinfoxpert  11 месяцев назад +2

      Dear You can use the OpenBabel to conervt the file formate