M. Ghamali

发表

Study of Pyrimidine-4-carboxamide Derivatives as HIV-1 Integrase Inhibitors Using QSAR and DFT Calculations

B. Elidrissi, M. Bouachrine, Samir CHTITA, 2018 .

QSPR and DFT Studies on the Melting Point of Carbocyclic Nitroaromatic Compounds

B. Elidrissi, M. Bouachrine, Samir CHTITA, 2017 .

QSPR studies of 9-aniliioacridine derivatives for their DNA drug binding properties based on density functional theory using statistical methods: Model, validation and influencing factors

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2016 .

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.

Quantitative Structure–Activity Relationship Studies of Anticancer Activity for Isatin (1H-indole-2,3-dione) Derivatives Based on Density Functional Theory

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2017 .

Combining DFT and QSAR computation for predicting the soil sorption coefficients of substituted phenols and anilines

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2016 .

Combining DFT and QSAR result for predicting the toxicity of a series of substituted phenols

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2014 .

Toxicity in-vivo of nitro-aromatic compounds: DFT and QSAR results

B. Elidrissi, M. Bouachrine, Samir CHTITA, 2014 .

Biological activity of molecules based on benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE). Predicting by combining DFT and QSAR calculations.

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2014 .

QSAR study of N-substituted oseltamivir derivatives as potent avian influenza virus H5N1 inhibitors using quantum chemical descriptors and statistical methods

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

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.

QSAR Study of (5-Nitroheteroaryl-1,3,4-thiadiazole-2- yl)piperazinyl Derivatives to Predict New Similar Compounds as Antileishmanial Agents

B. Elidrissi, M. Bouachrine, A. Aouidate, 2018, Chemical Science Transactions.

QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors

M. Bouachrine, A. Aouidate, A. Belhassan, 2019, Heliyon.

Quantitative structure–activity relationship studies of dibenzo[a,d]cycloalkenimine derivatives for non-competitive antagonists of N-methyl-d-aspartate based on density functional theory with electronic and topological descriptors

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2015 .

Electronic and photovoltaic properties of new materials based on imidazo[1.2-a]pyrazine. Computational investigations.

M. Bouachrine, L. Bejjit, Samir CHTITA, 2013 .

The inhibitory activity of aldose reductase of flavonoid compounds: Combining DFT and QSAR calculations

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2016 .

Investigation of Antileishmanial Activities of Acridines Derivatives against Promastigotes and Amastigotes Form of Parasites Using Quantitative Structure Activity Relationship Analysis

Samir Chtita, Mohammed Bouachrine, Tahar Lakhlifi, 2016 .

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 .

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..

Quantitative Structure–Activity Relationship (QSAR) Studies of Some Glutamine Analogues for Possible Anticancer Activity

B. Elidrissi, M. Bouachrine, Samir CHTITA, 2018, International Journal of Scientific Research in Environmental Science and Toxicology.

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.

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 .

QSAR analysis of the toxicity of phenols and thiophenols using MLR and ANN

B. Elidrissi, M. Bouachrine, 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 .

QSAR Studies of the Inhibitory Activity of a Series of Substituted Indole and Derivatives Againt Isoprenylcysteine Carboxyl Methyltransferase ( Icmt )

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2017 .

Quantitative structure - toxicity relationship studies of aromatic aldehydes to Tetrahymena pyriformis base d on electronic and topological descriptors

B. Elidrissi, M. Bouachrine, A. Aouidate, 2018 .

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.

Studies of two different cancer cell lines activities (MDAMB-231 and SK-N-SH) of imidazo(1,2-a)pyrazine derivatives by combining DFT and QSAR results

Samir CHTITA, T. Lakhlifi, M. Ghamali, 2013 .