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Journal of Molecular Docking
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  • Alantolactone binds successfully with both viral proteins as well as human receptor protein and kinases that are involved in SARS-coV-2 entry and biogenesis in the cell. The entry of SARS-coV-2 depends on the binding of s-protein and plasma membrane receptor ACE-2 which is facilitated by proteases TMPRSS2 and furin. The further entry and biogenesis are proceeded by kinases AAK1 and GAK-2 as shown above and cathepsil L. Alantolactone binding energies with all the proteases, Kinases and receptors are given.

    Alantolactone: A Potential Multitarget Drug candidate for Prevention of SARS-CoV-2 Cell Entry

    Erum Zafar, Zainab Ahsan, Muhammad Faisal Maqbool, Aqsa Zaman, Sameena Gul, Amara Maryam, Muhammad Khan, Hafiz Abdullah Shakir, Muhammad Irfan
    2022-12-31
  • Pharmacophore Based Virtual Screening and Docking of Different Aryl Sulfonamide Derivatives of 5HT7R Antagonist

    Nahid Fatema, Vijjulatha Manga, Lingala Yamini, Salman Ahmad Khan, Qasim Ullah
    1-15
    2022-06-30
  • Cover, Content, and Editorial Note from J Mol Docking Vol. 2 No. 1 June 2022

    Chief Editor of J Mol Docking
    2022-06-30
  • De Novo Class of Momordicoside with Potent and Selective Tumor Cell Growth Inhibitory Activity as Pyruvate Kinase Muscle Isozyme 2 and Anti-apoptotic Myeloid Leukemia 1 Inhibitors

    Tope Abraham Ibisanmi, ‪Jamiu Olaseni Aribisala, Peace Ifeoma Odjegba, Damilola Ademuyi, Ayomide Akinmusere, Faith I Ajayi
    2022-12-31
  • N-acetylation of 2-aminobenzothiazoles with Acetic Acid for Evaluation of Antifungal Activity and In Silico Analysis

    Sukumar Bepary, Bishyajit Kumar Biswas, Prosenjit Ghosh, Md. Aminul Haque, Tran Quang De
    78-83
    2021-12-30
  • Molecular Docking Screening and Pharmacokinetic Studies of Some Boron-Pleuromutilin Analogues against Possible Targets of Wolbachia pipientis

    Fabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu, Ibrahim Abdulkadir
    29-43
    2022-06-30
  • Suitable Docking Protocol for the Design of Novel Coumarin Derivatives with Selective MAO-B Effects

    Emilio Viktorov Mateev, Iva Valkova, Maya Georgieva, Alexander Zlatkov
    40-47
    2021-06-30
  • Identification of Bioactive Molecules from Combretum micranthum as Potential Inhibitors of α-amylase through Computational Investigations

    Damilola Samuel Bodun, Damilola Alex Omoboyowa, Toheeb Adewale Balogun, Abigail Osinachi Enyinnaya
    2022-12-31
  • Comparative In-Silico Molecular Docking of Silymarin for SARS-CoV-2 Receptor

    Michael Antony Samy Amutha Gnana Arasi, Sapthasri Ravichandran, Irudayam Jayaraman
    58-67
    2022-06-30
  • Cover, Content, and Editorial Note from J Mol Docking Vol. 1 No. 2 December 2021

    Chief Editor of J Mol Docking
    2021-12-30
  • In Silico Study for Similar FDA Approved Drugs as Inhibitors of SARS-CoV-2 Spike and the Host Receptor Proteins

    Israa Mohamed Shamkh, Dina Pratiwi, Hanaa S. Omar, Nour El-Houda A. Reyad
    49-58
    2021-12-30
  • Cover, Content, and Editorial Note from J Mol Docking Vol. 1 No. 1 June 2021

    Chief Editor of J Mol Docking
    2021-06-30
  • Docking and Dynamics Study of Phytochemicals as Potent Inhibitors against SARS-CoV-2 Main Protease

    Palla Ramprasad, Arunkumar Babu, Suveena Sukumaran
    2022-12-31
  • A Comparative Study of Approved Drugs for SARS-CoV-2 by Molecular Docking

    Achal Mishra, Radhika Waghela
    25-31
    2021-06-30
  • Corrigendum to "Development of SARS-CoV-2 Inhibitors Using Molecular Docking Study with Different Coronavirus Spike Protein and ACE2” [J Mol Docking. 2021;1(2):1-14]

    Israa Mohamed Shamkh, Dina Pratiwi, Hanaa S. Omar
    48
    2021-12-30
  • Phytochemical Molecules Binding with the Proteins of Mycolic Acid Synthesis Pathway of Mycobacterium tuberculosis

    Rishabh Gaur, Praveen Kumar Anand
    2022-12-31
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 Creative Commons License Journal of Molecular Docking (J. Mol. Docking, ISSN: 2798-138X (online)) is published by Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya and licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

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