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Sustainable composite material based on glutenin biopolymeric-clay for efficient separation of rare earth elements

Chemical engineering journal (Lausanne, Switzerland : 1996), 2022-07, Vol.440, p.135959, Article 135959

2022

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Identification of Novel SARS-CoV-2 Inhibitors: A Structure-Based Virtual Screening Approach

Journal of chemistry, 2021, Vol.2021, p.1-7

2021

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Synthesis, characterization, and DFT investigation of rhodamine B dye removal by activated carbon produced from argan nutshell

Biomass conversion and biorefinery, 2024-07, Vol.14 (13), p.15107-15118

2024

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In Silico Design of Novel Tetra-Substituted Pyridinylimidazoles Derivatives as c-Jun N-Terminal Kinase-3 Inhibitors, Using 2D/3D-QSAR Studies, Molecular Docking and ADMET Prediction

International journal of peptide research and therapeutics, 2020-09, Vol.26 (3), p.1335-1351

2020

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2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method

Heliyon, 2020-08, Vol.6 (8), p.e04514-e04514, Article e04514

2020

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Molecular Modeling Studies of C-Glycosylfavone Derivatives as GSK-3β Inhibitors Based on QSAR and Docking Analysis

Journal of solution chemistry, 2021-05, Vol.50 (5), p.808-822

2021

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Thermoactinomyces sacchari competent strain: Isolation from compost, selection and characterization for biotechnological use

Scientific African, 2024-03, Vol.23, p.e02121, Article e02121

2024

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Homology modeling, virtual screening, molecular docking, molecular dynamic (MD) simulation, and ADMET approaches for identification of natural anti-Parkinson agents targeting MAO-B protein

Neuroscience letters, 2022-08, Vol.786, p.136803-136803, Article 136803

2022

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Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy

Journal of biomolecular structure & dynamics, 2023-07, Vol.41 (10), p.4667-4680

2023

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3D-QSAR modeling and molecular docking studies on a series of 2, 4, 5-trisubstituted imidazole derivatives as CK2 inhibitors

Journal of biomolecular structure & dynamics, 2023-01, Vol.41 (1), p.234-248

2023

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Structure-based virtual screening of novel natural products as chalcone derivatives against SARS-CoV-2 Mpro

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (22), p.13235-13249

2023

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A review on synthesis of zeolites from natural clay resources and waste ash: Recent approaches and progress

Minerals engineering, 2023-07, Vol.198, p.108086, Article 108086

2023

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Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking and molecular dynamics simulations

Turkish journal of chemistry, 2021-12

2021

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QSAR modeling, molecular docking studies and ADMET prediction on a series of phenylaminopyrimidine-(thio) urea derivatives as CK2 inhibitors

Materials today : proceedings, 2022, Vol.51, p.1851-1862

2022

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A quantitative study of the structure-activity relationship and molecular docking of 5.6.7-trimethoxy-N-aryl-2-styrylquinolin-4-amines as potential anticancer agents using quantum chemical descriptors and statistical methods

Journal of molecular structure, 2022-12, Vol.1270, p.133794, Article 133794

2022

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Structure-based virtual screening of novel natural products as chalcone derivatives against SARS-CoV-2 M pro

Journal of biomolecular structure & dynamics, 2023-02, p.1-15

2023

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Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics simulations

Turkish journal of chemistry, 2022-01, Vol.46 (3), p.687-703

2022

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3D-QSAR and molecular docking studies of 4-methyl quinazoline derivatives as PI3Kα inhibitors

Journal of the Indian Chemical Society, 2021-11, Vol.98 (11), p.100183, Article 100183

2021

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In silico Prediction of Novel SARS-CoV 3CL pro Inhibitors: a Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation

Biointerface Research in Applied Chemistry, 2022-08, Vol.12 (4), p.5100-5115

2022

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Enhancing clay adsorption properties: A comparison between chemical and combined chemical/thermal treatments

Groundwater for sustainable development, 2021-02, Vol.12, p.100544, Article 100544

2021

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An insight of enhanced natural material (calcined diatomite) efficiency in nickel and silver retention: Application to natural effluents

Environmental technology & innovation, 2020-05, Vol.18, p.100768, Article 100768

2020

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Modeling study, 3D-QSAR and molecular docking of 9H-purine derivatives as EGFR inhibitors

Materials today : proceedings, 2022, Vol.62, p.6312-6323

2022

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A sol-gel synthesis, characterization and in vitro bioactivity of binary, ternary and quaternary bioglasses with high mechanical strength

Mediterranean journal of chemistry, 2020-04, Vol.10 (4), p.310-318

2020

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Physical Properties and Electronic Structure of Ternary Barium Copper Sulfides

Journal of solid state chemistry, 1995-06, Vol.117 (1), p.73-79

1995

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QSAR study of isonicotinamides derivatives as Alzheimr's disease inhibitors using PLS-R and ANN methods

2019 International Conference on Intelligent Systems and Advanced Computing Sciences (ISACS), 2019, p.1-7

2019

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Sustainable composite material based on glutenin biopolymeric-clay for efficient separation of rare earth elements

Identification of Novel SARS-CoV-2 Inhibitors: A Structure-Based Virtual Screening Approach

Synthesis, characterization, and DFT investigation of rhodamine B dye removal by activated carbon produced from argan nutshell

In Silico Design of Novel Tetra-Substituted Pyridinylimidazoles Derivatives as c-Jun N-Terminal Kinase-3 Inhibitors, Using 2D/3D-QSAR Studies, Molecular Docking and ADMET Prediction

2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method

Molecular Modeling Studies of C-Glycosylfavone Derivatives as GSK-3β Inhibitors Based on QSAR and Docking Analysis

Thermoactinomyces sacchari competent strain: Isolation from compost, selection and characterization for biotechnological use

Homology modeling, virtual screening, molecular docking, molecular dynamic (MD) simulation, and ADMET approaches for identification of natural anti-Parkinson agents targeting MAO-B protein

Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy

3D-QSAR modeling and molecular docking studies on a series of 2, 4, 5-trisubstituted imidazole derivatives as CK2 inhibitors

Structure-based virtual screening of novel natural products as chalcone derivatives against SARS-CoV-2 Mpro

A review on synthesis of zeolites from natural clay resources and waste ash: Recent approaches and progress

Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking and molecular dynamics simulations

QSAR modeling, molecular docking studies and ADMET prediction on a series of phenylaminopyrimidine-(thio) urea derivatives as CK2 inhibitors

A quantitative study of the structure-activity relationship and molecular docking of 5.6.7-trimethoxy-N-aryl-2-styrylquinolin-4-amines as potential anticancer agents using quantum chemical descriptors and statistical methods

Structure-based virtual screening of novel natural products as chalcone derivatives against SARS-CoV-2 M pro

Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics simulations

3D-QSAR and molecular docking studies of 4-methyl quinazoline derivatives as PI3Kα inhibitors

In silico Prediction of Novel SARS-CoV 3CL pro Inhibitors: a Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation

Enhancing clay adsorption properties: A comparison between chemical and combined chemical/thermal treatments

An insight of enhanced natural material (calcined diatomite) efficiency in nickel and silver retention: Application to natural effluents

Modeling study, 3D-QSAR and molecular docking of 9H-purine derivatives as EGFR inhibitors

A sol-gel synthesis, characterization and in vitro bioactivity of binary, ternary and quaternary bioglasses with high mechanical strength

Physical Properties and Electronic Structure of Ternary Barium Copper Sulfides

QSAR study of isonicotinamides derivatives as Alzheimr's disease inhibitors using PLS-R and ANN methods

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