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In Silico Evaluation of Prospective Anti-COVID-19 Drug Candidates as Potential SARS-CoV-2 Main Protease Inhibitors

The Protein Journal, 2021-06, Vol.40 (3), p.296-309

2021

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Molecular mechanical study of halogen bonding in drug discovery

Journal of computational chemistry, 2011-09, Vol.32 (12), p.2564-2574

Ibrahim, Mahmoud A. A.

2011

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Anti-Cancer Peptides: Status and Future Prospects

Molecules (Basel, Switzerland), 2023-01, Vol.28 (3), p.1148

2023

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AMBER Empirical Potential Describes the Geometry and Energy of Noncovalent Halogen Interactions Better than Advanced Semiempirical Quantum Mechanical Method PM6-DH2X

The journal of physical chemistry. B, 2012-03, Vol.116 (11), p.3659-3669

Ibrahim, Mahmoud A. A

2012

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Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis

Molecules (Basel, Switzerland), 2022-12, Vol.27 (24), p.8658

2022

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Dentifragilones A-B and Other Benzoic Acid Derivatives from the European Basidiomycete Dentipellis fragilis

Molecules (Basel, Switzerland), 2024-06, Vol.29 (12), p.2859

2024

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Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease

Journal of biomolecular structure & dynamics, 2021-09, Vol.39 (14), p.5129-5136

2021

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Dual-Source Self-Start High-Efficiency Microscale Smart Energy Harvesting System for IoT

IEEE transactions on industrial electronics (1982), 2018-01, Vol.65 (1), p.342-351

2018

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Click-designed vanilloid-triazole conjugates as dual inhibitors of AChE and Aβ aggregation

RSC advances, 2023-01, Vol.13 (5), p.2871-2883

2023

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Glioma-Targeted Therapeutics: Computer-Aided Drug Design Prospective

The Protein Journal, 2021-10, Vol.40 (5), p.601-655

2021

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The Unusual Architecture of RNA-Dependent RNA Polymerase (RdRp)'s Catalytic Chamber Provides a Potential Strategy for Combination Therapy against COVID-19

Molecules (Basel, Switzerland), 2023-03, Vol.28 (6), p.2806

2023

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Repurposing potential of posaconazole and grazoprevir as inhibitors of SARS-CoV-2 helicase

Scientific reports, 2021-05, Vol.11 (1), p.10290-11, Article 10290

2021

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Intermolecular And Dynamic Investigation of The Mechanism of Action of Reldesemtiv on Fast Skeletal Muscle Troponin Complex Toward the Treatment of Impaired Muscle Function

The protein journal, 2023-08, Vol.42 (4), p.263-275

2023

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In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents

Scientific reports, 2023-02, Vol.13 (1), p.2146-2146, Article 2146

2023

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SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study

PloS one, 2023-07, Vol.18 (7), p.e0288919-e0288919

2023

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Production of Dual Inhibitory Hydrolysate by Enzymatic Hydrolysis of Squid Processing By-product

Marine biotechnology (New York, N.Y.), 2022-04, Vol.24 (2), p.293-302

2022

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Unconventional Type III Halogen···Halogen Interactions: A Quantum Mechanical Elucidation of σ‑Hole···σ-Hole and Di-σ-Hole Interactions

ACS omega, 2020-09, Vol.5 (34), p.21824-21835

2020

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Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study

RSC advances, 2023-06, Vol.13 (26), p.17465-17475

2023

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Stability and Threshold Dynamics in a Seasonal Mathematical Model for Measles Outbreaks with Double-Dose Vaccination

Mathematics (Basel), 2023-04, Vol.11 (8), p.1791

2023

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Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH N and CH π interactions

CrystEngComm, 2023-12, Vol.25 (48), p.671-6718

2023

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Mathematical modeling of SARS-CoV-2 transmission between minks and humans considering new variants and mink culling

Tropical medicine and infectious disease, 2023-08, Vol.8 (8), p.1-28

2023

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Mutational impact of APOBEC3A and APOBEC3B in a human cell line and comparisons to breast cancer

PLoS genetics, 2023-11, Vol.19 (11), p.e1011043-e1011043

2023

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Density functional theory study of the corrosion inhibition performance of 6-mercaptopurine and 6-thioguanine expired drugs toward the aluminium (111) surface

RSC advances, 2023-10, Vol.13 (41), p.2923-2934

2023

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Prioritizing the Catalytic Gatekeepers through Pan- Inhibitory Mechanism of Entrectinib against ALK, ROS1 and TRKA Tyrosine Kinases

Cell biochemistry and biophysics, 2022-03, Vol.80 (1), p.11-21

2022

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Type I-IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers

International journal of molecular sciences, 2022-03, Vol.23 (6), p.3114

2022

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In Silico Evaluation of Prospective Anti-COVID-19 Drug Candidates as Potential SARS-CoV-2 Main Protease Inhibitors

Molecular mechanical study of halogen bonding in drug discovery

Anti-Cancer Peptides: Status and Future Prospects

AMBER Empirical Potential Describes the Geometry and Energy of Noncovalent Halogen Interactions Better than Advanced Semiempirical Quantum Mechanical Method PM6-DH2X

Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis

Dentifragilones A-B and Other Benzoic Acid Derivatives from the European Basidiomycete Dentipellis fragilis

Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease

Dual-Source Self-Start High-Efficiency Microscale Smart Energy Harvesting System for IoT

Click-designed vanilloid-triazole conjugates as dual inhibitors of AChE and Aβ aggregation

Glioma-Targeted Therapeutics: Computer-Aided Drug Design Prospective

The Unusual Architecture of RNA-Dependent RNA Polymerase (RdRp)'s Catalytic Chamber Provides a Potential Strategy for Combination Therapy against COVID-19

Repurposing potential of posaconazole and grazoprevir as inhibitors of SARS-CoV-2 helicase

Intermolecular And Dynamic Investigation of The Mechanism of Action of Reldesemtiv on Fast Skeletal Muscle Troponin Complex Toward the Treatment of Impaired Muscle Function

In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents

SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study

Production of Dual Inhibitory Hydrolysate by Enzymatic Hydrolysis of Squid Processing By-product

Unconventional Type III Halogen···Halogen Interactions: A Quantum Mechanical Elucidation of σ‑Hole···σ-Hole and Di-σ-Hole Interactions

Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study

Stability and Threshold Dynamics in a Seasonal Mathematical Model for Measles Outbreaks with Double-Dose Vaccination

Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH N and CH π interactions

Mathematical modeling of SARS-CoV-2 transmission between minks and humans considering new variants and mink culling

Mutational impact of APOBEC3A and APOBEC3B in a human cell line and comparisons to breast cancer

Density functional theory study of the corrosion inhibition performance of 6-mercaptopurine and 6-thioguanine expired drugs toward the aluminium (111) surface

Prioritizing the Catalytic Gatekeepers through Pan- Inhibitory Mechanism of Entrectinib against ALK, ROS1 and TRKA Tyrosine Kinases

Type I-IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers

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