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In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors

Computers in biology and medicine, 2020-11, Vol.126, p.104046-104046, Article 104046

2020

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Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study

Journal of molecular graphics & modelling, 2021-06, Vol.105, p.107904-107904, Article 107904

2021

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Selective SIRT2 inhibitors as promising anticancer therapeutics: An update from 2016 to 2020

European journal of medicinal chemistry, 2021-11, Vol.224, p.113709-113709, Article 113709

2021

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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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Elucidating the adsorption and detection of amphetamine drug by pure and doped Al12N12, and Al12P12nano-cages, a DFT study

Journal of molecular liquids, 2021-03, Vol.326, p.115297, Article 115297

2021

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Synthesis of novel 1,2-bis-quinolinyl-1,4-naphthoquinones: ERK2 inhibition, cytotoxicity and molecular docking studies

Bioorganic chemistry, 2018-12, Vol.81, p.700-712

2018

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Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study

Pharmaceuticals (Basel, Switzerland), 2022-09, Vol.15 (10), p.1181

2022

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Flavonoids of Zinnia elegans: Chemical profile and in vitro antioxidant and in silico anti-COVID-19 activities

South African journal of botany, 2022-07, Vol.147, p.576-585

2022

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Dual enzymatic inhibitory mechanism of WM382 on plasmepsin IX and X: Atomistic perspectives from dynamic analysis

Informatics in medicine unlocked, 2022, Vol.29, p.100874, Article 100874

2022

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σ‑Hole Site-Based Interactions within Hypervalent Pnicogen, Halogen, and Aerogen-Bearing Molecules with Lewis Bases: A Comparative Study

ACS omega, 2024-03, Vol.9 (9), p.10391-10399

2024

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Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al12P12) nanocage: A DFT study

Heliyon, 2023-08, Vol.9 (8), p.e18690-e18690, Article e18690

2023

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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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Insight of corrosion mitigation performance of SABIC iron in 0.5 M HCl solution by tryptophan and histidine: Experimental and computational approaches

International journal of hydrogen energy, 2022-03, Vol.47 (25), p.12782-12797

2022

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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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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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Graphene and graphene oxide as adsorbents for cadmium and lead heavy metals: A theoretical investigation

Applied surface science, 2020-03, Vol.507, p.145038, Article 145038

2020

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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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IEEE_Xplore

A Low-Power BFSK Transmitter Architecture for Biomedical Applications

IEEE transactions on circuits and systems. I, Regular papers, 2020-05, Vol.67 (5), p.1527-1540

2020

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IEEE_Xplore

A 0.061 nJ/b 10 Mbps Hybrid BF-PSK Receiver for Internet of Things Applications

IEEE transactions on circuits and systems. I, Regular papers, 2022-05, Vol.69 (5), p.1919-1931

2022

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IEEE_Xplore

Systematic Synthesis and Design of Ultralow Threshold 2:1 Parametric Frequency Dividers

IEEE transactions on microwave theory and techniques, 2020-08, Vol.68 (8), p.3497-3509

2020

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IEEE_Xplore

In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M pro ) Inhibitors

Molecules (Basel, Switzerland), 2021-04, Vol.26 (7), p.2082

2021

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Cytotoxic and antimicrobial mycophenolic acid derivatives from an endophytic fungus Penicillium sp. MNP–HS–2 associated with Macrozamia communis

Phytochemistry (Oxford), 2024-01, Vol.217, p.113901-113901, Article 113901

2024

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Hericioic Acids A–G and Hericiofuranoic Acid; Neurotrophic Agents from Cultures of the European Mushroom Hericium flagellum

Journal of agricultural and food chemistry, 2023-07, Vol.71 (29), p.11094-11103

2023

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Mechanistic Insight of Synthesized 1,4-Dihydropyridines as an Antidiabetic Sword against Reactive Oxygen Species

Journal of medicinal chemistry, 2023-01, Vol.66 (1), p.991-1010

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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In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study

Selective SIRT2 inhibitors as promising anticancer therapeutics: An update from 2016 to 2020

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

Elucidating the adsorption and detection of amphetamine drug by pure and doped Al12N12, and Al12P12nano-cages, a DFT study

Synthesis of novel 1,2-bis-quinolinyl-1,4-naphthoquinones: ERK2 inhibition, cytotoxicity and molecular docking studies

Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study

Flavonoids of Zinnia elegans: Chemical profile and in vitro antioxidant and in silico anti-COVID-19 activities

Dual enzymatic inhibitory mechanism of WM382 on plasmepsin IX and X: Atomistic perspectives from dynamic analysis

σ‑Hole Site-Based Interactions within Hypervalent Pnicogen, Halogen, and Aerogen-Bearing Molecules with Lewis Bases: A Comparative Study

Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al12P12) nanocage: A DFT study

Molecular mechanical study of halogen bonding in drug discovery

Insight of corrosion mitigation performance of SABIC iron in 0.5 M HCl solution by tryptophan and histidine: Experimental and computational approaches

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

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

Graphene and graphene oxide as adsorbents for cadmium and lead heavy metals: A theoretical investigation

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

A Low-Power BFSK Transmitter Architecture for Biomedical Applications

A 0.061 nJ/b 10 Mbps Hybrid BF-PSK Receiver for Internet of Things Applications

Systematic Synthesis and Design of Ultralow Threshold 2:1 Parametric Frequency Dividers

In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M pro ) Inhibitors

Cytotoxic and antimicrobial mycophenolic acid derivatives from an endophytic fungus Penicillium sp. MNP–HS–2 associated with Macrozamia communis

Hericioic Acids A–G and Hericiofuranoic Acid; Neurotrophic Agents from Cultures of the European Mushroom Hericium flagellum

Mechanistic Insight of Synthesized 1,4-Dihydropyridines as an Antidiabetic Sword against Reactive Oxygen Species

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

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