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Anti-Alzheimer potential, metabolomic profiling and molecular docking of green synthesized silver nanoparticles of Lampranthus coccineus and Malephora lutea aqueous extracts

PloS one, 2019-11, Vol.14 (11), p.e0223781

2019

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New pyrazole derivatives: Synthesis, anti-inflammatory activity, cycloxygenase inhibition assay and evaluation of mPGES

European journal of medicinal chemistry, 2019-06, Vol.171, p.332-342

2019

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A multi-stage virtual screening of FDA-approved drugs reveals potential inhibitors of SARS-CoV-2 main protease

Journal of biomolecular structure & dynamics, 2022-03, Vol.40 (5), p.2327-2338

2022

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Two-photon absorption of fluorescent protein chromophores incorporating non-canonical amino acids: TD-DFT screening and classical dynamics

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (38), p.25563-25571

2015

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Radioiodinated doxorubicin as a new tumor imaging model: preparation, biological evaluation, docking and molecular dynamics

Journal of radioanalytical and nuclear chemistry, 2018-09, Vol.317 (3), p.1243-1252

2018

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Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis

Molecular physics, 2020-10, Vol.118 (19-20)

2020

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The synergistic effect of biosynthesized silver nanoparticles from a combined extract of parsley, corn silk, and gum arabic: in vivo antioxidant, anti-inflammatory and antimicrobial activities

Materials research express, 2020-02, Vol.7 (2), p.25002

2020

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New oxadiazoles with selective-COX-2 and EGFR dual inhibitory activity: Design, synthesis, cytotoxicity evaluation and in silico studies

European journal of medicinal chemistry, 2019-12, Vol.183, p.111693, Article 111693

2019

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Two-Photon Absorption in Fluorescent Protein Chromophores: TDDFT and CC2 Results

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.3260-3269

2014

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Prediction of two-photon absorption enhancement in red fluorescent protein chromophores made from non-canonical amino acids

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (35), p.24408-24416

2016

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Multitarget in silico studies of Ocimum menthiifolium, family Lamiaceae against SARS-CoV-2 supported by molecular dynamics simulation

Journal of biomolecular structure & dynamics, 2022-06, Vol.40 (9), p.4062-4072

2022

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Antiulcer potential and molecular docking of flavonoids from Ocimum forskolei Benth., family Lamiaceae

Natural product research, 2021-06, Vol.35 (11), p.1933-1937

2021

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Brain-targeting by optimized 99m Tc-olanzapine: in vivo and in silico studies

International journal of radiation biology, 2020-08, Vol.96 (8), p.1017-1027

2020

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Brain-targeting by optimized 99mTc-olanzapine: in vivo and in silico studies

International journal of radiation biology, 2020-08, Vol.96 (8), p.1017-1027

2020

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Local anaesthetic potential, metabolic profiling, molecular docking and in silico ADME studies of Ocimum forskolei, family Lamiaceae

Natural product research, 2021-11, Vol.35 (22), p.4757-4763

2021

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Chemical and biological studies on the soft coral Nephthea sp

RSC advances, 2021-07, Vol.11 (38), p.23654-23663

2021

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Non-ulcerogenic pyrazolyl 2-hydroxychalcones and pyrazolylpyrazolines derived from naturally existing furochromone (khellin): semi-synthesis, docking study and anti-inflammatory activity

Natural product research, 2022-05, Vol.36 (10), p.2486-2494

2022

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A Tandem Green-Red Heterodimeric Fluorescent Protein with High FRET Efficiency

Chembiochem : a European journal of chemical biology, 2016-12, Vol.17 (24), p.2361-2367

2016

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Corrigendum: A Tandem Green–Red Heterodimeric Fluorescent Protein with High FRET Efficiency

Chembiochem : a European journal of chemical biology, 2018-03, Vol.19 (6), p.647-647

2018

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Two-photon absorption of fluorescent protein chromophores incorporating non-canonical amino acids: TD-DFT screening and classical dynamicsElectronic supplementary information (ESI) available: Coordinates of optimized chromophore structures (Table S1), parameters used for the chromophores in the MD simulation (Tables S2 and S3 and following text), input files for the MD simulation, δTPA values (Table S4), comparison of bond lengths from MD simulations, DFT, and, for EGFP, crystal structure (Table

2015-09

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Prediction of two-photon absorption enhancement in red fluorescent protein chromophores made from non-canonical amino acidsElectronic supplementary information (ESI) available: Models of the studied chromophores (Fig. S1), dihedral angles of the RFP-chromophore in a set of crystal structures representing the twist, tilt and 3 dihedrals in the extended acylimine conjugation (Table S1), coordinates of the optimized chromophore models (Table S2), data and differences between properties computed via

2016-08

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Metabolic profiling, histopathological anti-ulcer study, molecular docking and molecular dynamics of ursolic acid isolated from Ocimum forskolei Benth. (family Lamiaceae)

South African journal of botany, 2020-07, Vol.131, p.311-319

2020

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Hit Identification Against Candida Albicans: Design, Synthesis, Molecular Docking and Biological Evaluation of Hybrid Styryl-Quinoxaline Based Analogues

Egyptian Journal of Chemistry, 2023-12

2023

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Dereplication Analysis and Antitrypanosomal Potential of the Red Sea Sponge Amphimedon sp. Supported by Molecular Modelling

Revista brasileira de farmacognosia, 2020-04, Vol.30 (2), p.290-294

2020

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Anti-epileptic potential, metabolic profiling and in silico studies of the aqueous fraction from Ocimum menthiifolium benth, family Lamiaceae

Natural product research, 2021-12, Vol.35 (24), p.5972-5976

2021

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Anti-Alzheimer potential, metabolomic profiling and molecular docking of green synthesized silver nanoparticles of Lampranthus coccineus and Malephora lutea aqueous extracts

New pyrazole derivatives: Synthesis, anti-inflammatory activity, cycloxygenase inhibition assay and evaluation of mPGES

A multi-stage virtual screening of FDA-approved drugs reveals potential inhibitors of SARS-CoV-2 main protease

Two-photon absorption of fluorescent protein chromophores incorporating non-canonical amino acids: TD-DFT screening and classical dynamics

Radioiodinated doxorubicin as a new tumor imaging model: preparation, biological evaluation, docking and molecular dynamics

Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis

The synergistic effect of biosynthesized silver nanoparticles from a combined extract of parsley, corn silk, and gum arabic: in vivo antioxidant, anti-inflammatory and antimicrobial activities

New oxadiazoles with selective-COX-2 and EGFR dual inhibitory activity: Design, synthesis, cytotoxicity evaluation and in silico studies

Two-Photon Absorption in Fluorescent Protein Chromophores: TDDFT and CC2 Results

Prediction of two-photon absorption enhancement in red fluorescent protein chromophores made from non-canonical amino acids

Multitarget in silico studies of Ocimum menthiifolium, family Lamiaceae against SARS-CoV-2 supported by molecular dynamics simulation

Antiulcer potential and molecular docking of flavonoids from Ocimum forskolei Benth., family Lamiaceae

Brain-targeting by optimized 99m Tc-olanzapine: in vivo and in silico studies

Brain-targeting by optimized 99mTc-olanzapine: in vivo and in silico studies

Local anaesthetic potential, metabolic profiling, molecular docking and in silico ADME studies of Ocimum forskolei, family Lamiaceae

Chemical and biological studies on the soft coral Nephthea sp

Non-ulcerogenic pyrazolyl 2-hydroxychalcones and pyrazolylpyrazolines derived from naturally existing furochromone (khellin): semi-synthesis, docking study and anti-inflammatory activity

A Tandem Green-Red Heterodimeric Fluorescent Protein with High FRET Efficiency

Corrigendum: A Tandem Green–Red Heterodimeric Fluorescent Protein with High FRET Efficiency

Metabolic profiling, histopathological anti-ulcer study, molecular docking and molecular dynamics of ursolic acid isolated from Ocimum forskolei Benth. (family Lamiaceae)

Hit Identification Against Candida Albicans: Design, Synthesis, Molecular Docking and Biological Evaluation of Hybrid Styryl-Quinoxaline Based Analogues

Dereplication Analysis and Antitrypanosomal Potential of the Red Sea Sponge Amphimedon sp. Supported by Molecular Modelling

Anti-epileptic potential, metabolic profiling and in silico studies of the aqueous fraction from Ocimum menthiifolium benth, family Lamiaceae

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