A. Ghaleb

发表

Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation

M. Bouachrine, A. Aouidate, M. Choukrad, 2020, Journal of biomolecular structure & dynamics.

In Silico Exploration of Aryl Halides Analogues as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and ADMET Screening

M. Bouachrine, A. Aouidate, T. Lakhlifi, 2019, Advanced pharmaceutical bulletin.

Combined 3D-QSAR and molecular docking study on 7,8-dialkyl-1,3-diaminopyrrolo-[3,2-f] Quinazoline series compounds to understand the binding mechanism of DHFR inhibitors

M. Bouachrine, A. Aouidate, M. Choukrad, 2017 .

Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists

M. Bouachrine, A. Aouidate, M. Choukrad, 2018, In Silico Pharmacology.

VALORIZATION OF PERILLALDEHYDE MOLECULE CONTAINED IN THE ESSENTIAL OIL OF Ammodaucus Leucotrichus Coss. FROM THE SAHARAN ZONES OF MOROCCO

M. Choukrad, A. Ghaleb, A. Amechrouq, 2021, Journal of microbiology, biotechnology and food sciences.

Furanone derivatives as new inhibitors of CDC7 kinase: development of structure activity relationship model using 3D QSAR, molecular docking, and in silico ADMET

M. Bouachrine, A. Aouidate, M. Choukrad, 2018, Structural Chemistry.

Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation

M. Bouachrine, A. Aouidate, M. Choukrad, 2018, Chemical Papers.

QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity

M. Bouachrine, A. Aouidate, M. Choukrad, 2017, Chemistry Central Journal.

Design, synthesis, DFT calculations, molecular docking and antimicrobial activities of novel cobalt, chromium metal complexes of heterocyclic moiety-based 1,3,4-oxadiazole derivatives

T. Rohand, A. Ghaleb, A. Tutar, 2021, Journal of biomolecular structure & dynamics.

Synthesis, biological evaluation, molecular docking and in silico ADMET screening studies of novel isoxazoline derivatives from acridone

A. Ghaleb, Mohammed Aarjane, A. Amine, 2021 .

Click Synthesis, Anticancer Activity, and Molecular Docking Investigation of some Functional 1,2,3-triazole Derivatives

S. Stiriba, A. Ghaleb, M. Julve, 2021, Biointerface Research in Applied Chemistry.

Synthesis, spectroscopic characterization (FT-IR, NMR) and DFT computational studies of new isoxazoline derived from acridone

A. Ghaleb, Mohammed Aarjane, A. Amine, 2021 .

Theoretical modeling and experimental studies of Terebinth extracts as green corrosion inhibitor for iron in 3% NaCl medium

A. Aouidate, M. Choukrad, A. Ghaleb, 2020 .

3D-QSAR modeling and molecular docking studies on a series of 2,5 disubstituted 1,3,4-oxadiazoles

M. Bouachrine, A. Aouidate, T. Lakhlifi, 2017 .

3D-QSAR Modeling and Molecular Docking Studies on a Series of 1,2,4 Triazole Containing Diarylpyrazolyl Carboxamide as CB1 Cannabinoid Receptor Ligand

M. Bouachrine, A. Aouidate, T. Lakhlifi, 2017 .

In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening

S. Stiriba, A. Aouidate, A. Ghaleb, 2020, Journal of biomolecular structure & dynamics.

QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors

M. Bouachrine, A. Aouidate, M. Choukrad, 2018, Chemistry Central Journal.

3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase

Mohammed Bouachrine, Tahar Lakhlifi, Adnane Aouidate, 2018, Comput. Biol. Chem..

Investigation of indirubin derivatives: a combination of 3D-QSAR, molecular docking, and ADMET towards the design of new DRAK2 inhibitors

M. Bouachrine, A. Aouidate, M. Choukrad, 2018, Structural Chemistry.

Chemical Profiling and Biological Properties of Essential Oils of Lavandula stoechas L. Collected from Three Moroccan Sites: In Vitro and In Silico Investigations

K. Hammani, Luisa Quesada-Romero, A. Ghaleb, 2023, Plants.

QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents

M. Bouachrine, A. Aouidate, A. Belhassan, 2020 .

Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists

M. Bouachrine, A. Aouidate, M. Choukrad, 2018, In Silico Pharmacology.

Combining DFT and QSAR computation to predict the interaction of flavonoids with the GABA (A) receptor using electronic and topological descriptors

M. Bouachrine, A. Aouidate, Samir CHTITA, 2017 .

Combining DFT and QSAR studies for predicting psychotomimetic activity of substituted phenethylamines using statistical methods

M. Bouachrine, A. Aouidate, M. Choukrad, 2016 .

Molecular Docking and 3D-QSAR Studies on 7-azaindole Derivatives as Inhibitors of Trk A: A Strategic Design in Novel Anticancer Agents

M. Bouachrine, A. Aouidate, M. Choukrad, 2018, Letters in Drug Design & Discovery.