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

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  • เผยแพร่เมื่อ 11 ก.ย. 2024

ความคิดเห็น • 23

  • @bioinfoxpert
    @bioinfoxpert  2 ปีที่แล้ว

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  • @bioinfoxpert
    @bioinfoxpert  3 ปีที่แล้ว +3

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

  • @user-yk6xx5nm4f
    @user-yk6xx5nm4f ปีที่แล้ว +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.

  • @ShabirAhmad-zn1ft
    @ShabirAhmad-zn1ft 3 ปีที่แล้ว +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 ปีที่แล้ว +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 ปีที่แล้ว +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 ปีที่แล้ว +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.

  • @mehwishahsan2194
    @mehwishahsan2194 3 ปีที่แล้ว +1

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

    • @bioinfoxpert
      @bioinfoxpert  3 ปีที่แล้ว +2

      Many thanks for your nice comment

  • @jameelabduljalil25
    @jameelabduljalil25 3 ปีที่แล้ว +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 ปีที่แล้ว +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 ปีที่แล้ว +1

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

    • @bioinfoxpert
      @bioinfoxpert  3 ปีที่แล้ว

      You are always welcome

  • @areebakhubaib212
    @areebakhubaib212 3 ปีที่แล้ว +1

    This is more helpful than you realize.

    • @bioinfoxpert
      @bioinfoxpert  3 ปีที่แล้ว +1

      Thanks for your comment

  • @lutfunchowdhury5711
    @lutfunchowdhury5711 3 ปีที่แล้ว +1

    Waiting for the next video..

    • @bioinfoxpert
      @bioinfoxpert  3 ปีที่แล้ว +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 ปีที่แล้ว +1

    Helping a lot 🔥

    • @bioinfoxpert
      @bioinfoxpert  2 ปีที่แล้ว

      Many thanks for your response

  • @jameelabduljalil25
    @jameelabduljalil25 3 ปีที่แล้ว +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 ปีที่แล้ว

      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 11 หลายเดือนก่อน +1

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

    • @bioinfoxpert
      @bioinfoxpert  9 หลายเดือนก่อน +2

      Dear You can use the OpenBabel to conervt the file formate