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Sami A. Al‐Hussain

Imam Mohammed Ibn Saud Islamic UniversityIN
ORCID0000-0002-4305-934X
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29

via OpenAlex

Citations
2,906

via OpenAlex

Publications
14

About

Sami A. Al-Hussain is an organic chemistry researcher at Imam Mohammed Ibn Saud Islamic University. With a focus on computational approaches, such as QSAR-based virtual screening, molecular docking, and molecular dynamics simulation, they have published 14 papers between 2021 and 2025, exploring the identification of novel compounds with potential therapeutic applications.

Research areas

  • Chemistry
  • Biology
  • Stereochemistry
  • Biochemistry
  • Organic chemistry

Publications (14)

Sorted by most cited.

  1. QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches

    2021

    View DOI
    48 cites

  2. Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis

    2021

    View DOI
    44 cites

  3. QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads

    2022

    View DOI
    39 cites

  4. Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches

    2022

    View DOI
    27 cites

  5. QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA

    2022

    View DOI
    13 cites

  6. Synthesis, Spectroscopic Characterization, Antimicrobial Investigation, Docking and Computational Studies of New Tin (IV) Schiff Base Complexes

    Applied Organometallic Chemistry2025journal article

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    0 cites

  7. A Comprehensive Update of Anti-COVID-19 Activity of Heterocyclic Compounds

    Drug Design, Development and Therapy2024journal article

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    0 cites

  8. In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations

    Journal of Biomolecular Structure and Dynamics2024journal article

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    0 cites

  9. An Integrative Approach to Study the Inhibition of Providencia vermicola FabD Using C2-Quaternary Indolinones

    Drug Design, Development and Therapy2023journal article

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    0 cites

  10. Synthesis, Anti-Bacterial and Molecular Docking Studies of Arylated Butyl 2-Bromoisonicotinate Against Clinical Isolates of ESBL-Producing Escherichia coli ST405 and Methicillin-Resistant Staphylococcus aureus

    Infection and Drug Resistance2023journal article

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    0 cites

  11. Synthesis, In Vitro Evaluation and Molecular Docking Studies of Novel Thiophenyl Thiazolyl-Pyridine Hybrids as Potential Anticancer Agents

    Molecules2023journal article

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    0 cites

  12. Design, Synthesis and Pharmacological Evaluation of 2-(3-BenzoyI-4-Hydroxy-1,1-Dioxido-2H-Benzo[e][1,2]thiazin-2-yI)-N-(2-Bromophenyl) Acetamide as Antidiabetic Agent

    Drug Design, Development and Therapy2022journal article

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    0 cites

  13. Tackling Microbial Resistance with Isatin-Decorated Thiazole Derivatives: Design, Synthesis, and in vitro Evaluation of Antimicrobial and Antibiofilm Activity

    Drug Design, Development and Therapy2022journal article

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    0 cites

  14. Synthesis and Reactions of Perimidines and Their Fused Systems

    Current Organic Chemistry2020journal article

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    0 cites