M. Bakhouch

发表

A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations

S. Elkhattabi, S. Chtita, O. Daoui, 2022, Journal of biomolecular structure & dynamics.

In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment

M. Bouachrine, Samir CHTITA, T. Lakhlifi, 2022, Structural Chemistry.

Electrochemical behavior and interfacial bonding mechanism of new synthesized carbocyclic inhibitor for exceptional corrosion resistance of steel alloy: DFTB, MD and experimental approaches

A. Al-Moubaraki, Mohamed El Yazidi, M. Chafiq, 2022, Arabian Journal of Chemistry.

Predicting the interaction between organic layer and metal substrate through DFTB and electrochemical approach for excellent corrosion protection

Y. Ko, A. Al-Moubaraki, A. Chaouiki, 2022, Journal of Industrial and Engineering Chemistry.

Crystal structure, Hirshfeld surface and DFT computations, along with molecular docking investigations of a new pyrazole as a tyrosine kinase inhibitor

M. Saadi, L. E. Ammari, A. T. Benjelloun, 2022, Journal of Molecular Structure.

Synthesis, Characterization, DFT Mechanistic Study, Antimicrobial Activity, Molecular Modeling, and ADMET Properties of Novel Pyrazole-isoxazoline Hybrids

Mohamed El Yazidi, Mohammed Bourhia, Yousef A. Bin Jardan, 2022, ACS omega.

Crystallographic study, biological assessment and POM/Docking studies of pyrazoles-sulfonamide hybrids (PSH): Identification of a combined Antibacterial/Antiviral pharmacophore sites leading to in-silico screening the anti-Covid-19 activity

M. Saadi, L. E. Ammari, F. Almalki, 2022, Journal of Molecular Structure.

Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach

Suraj N. Mali, S. Elkhattabi, S. Belaidi, 2023, ACS omega.

New Bi-Nuclear Nickel(II) Complex-Based Salen Schiff Base: Synthesis, Crystal Structure, Spectroscopic, Thermal, and Electrical Investigations

L. Bih, M. Saadi, Mohamed El Yazidi, 2022, Chemistry.

Crystallographic study, biological evaluation and DFT/POM/Docking analyses of pyrazole linked amide conjugates: Identification of antimicrobial and antitumor pharmacophore sites

M. Saadi, L. E. Ammari, F. Almalki, 2021, Journal of Molecular Structure.

Design, synthesis and characterization of functionalized pyrazole derivatives bearing amide and sulfonamide moieties from aza-aurones

Mohamed El Yazidi, Y. Nicolas, M. Bourass, 2020, Journal of Chemical Sciences.

QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods

S. Belaaouad, M. Bouachrine, A. Aouidate, 2021, Chemometrics and Intelligent Laboratory Systems.

3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents

A. González-Coloma, Samir CHTITA, S. Elkhattabi, 2022, Structural Chemistry.

QSAR Modeling, Molecular docking, ADMET prediction and molecular dynamics simulations of some 6-arylquinazolin-4-amine derivatives as DYRK1A inhibitors

Samir CHTITA, Md. Amiruddin Hashmi, S. Belaidi, 2022, Journal of Molecular Structure.

Michael addition of active methylene compounds to (Z)-2-arylidenebenzo[b]thiophen-3(2H)-ones

A. Kerbal, M. Daoudi, M. E. Yazidi, 2015 .

3′-(4-Chlorophenyl)-4′-phenyl-3H,4′H-spiro[benzo[b]thiophene-2,5′-isoxazol]-3-one

M. Saadi, L. E. Ammari, M. E. Yazidi, 2017 .

Mechanistic elucidation of Diels–Alder cycloaddition reactions between quinoflavonoid and substituted butadiene using LOL, ELF, QTAIM, and DFT studies

M. Dakir, Mohamed Bakhouch, S. Chtita, 2022, Structural Chemistry.

Cameroonian medicinal plants as potential candidates of SARS-CoV-2 inhibitors

Samir CHTITA, L. Tapondjou, S. Belaidi, 2021, Journal of biomolecular structure & dynamics.

QSAR Modelling of Peptidomimetic Derivatives towards HKU4-CoV 3CLpro Inhibitors against MERS-CoV

Samir CHTITA, S. Belaidi, Mohamed Bakhouch, 2021, Chemistry.

3D-QSAR, molecular docking, DFT and ADMET studies on quinazoline derivatives to explore novel DHFR inhibitors

M. Elhallaoui, Hanine Hadni, M. Bakhouch, 2021, Journal of biomolecular structure & dynamics.

Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations

Faizan Abul Qais, M. Bouachrine, A. Belhassan, 2022, Journal of King Saud University - Science.

3′,4′-Diphenyl-3H,4′H-spiro[benzo[b]thiophene-2,5′-isoxazol]-3-one

M. Saadi, Lahcen El Ammari, G. Al Houari, 2018, IUCrData.

Crystal structure of 2-amino-3-cyano-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran

M. Saadi, A. Kerbal, Lahcen El Ammari, 2015, Acta crystallographica. Section E, Crystallographic communications.

Crystal structure of ethyl 2-amino-4-(4-chlorophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

M. Saadi, Lahcen El Ammari, M. Bakhouch, 2015, Acta crystallographica. Section E, Crystallographic communications.

Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

M. Saadi, A. Kerbal, Lahcen El Ammari, 2015, Acta crystallographica. Section E, Crystallographic communications.

Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

Lahcen El Ammari, Mohamed Saadi, Ghali Al Houari, 2011, Acta crystallographica. Section E, Structure reports online.

QSAR modeling using the Gaussian process applied for a series of flavonoids as potentialantioxidants

Samir CHTITA, S. Belaidi, S. Boudergua, 2023, Journal of King Saud University - Science.

Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents

Mohammed A. Awadallah, A. Nakkabi, A. E. Moussaoui, 2023, Comput. Biol. Chem..

Semisynthesis of new isoxazolines from (E)-α-atlantone: antibacterial, antifungal activities, ADME-Tox, molecular docking, and molecular dynamics simulations investigations

K. Hammani, T. Benali, N. Mazoir, 2024, Journal of Molecular Structure.

Oxidative functionalization of triterpenes isolated from Euphorbia resinifera latex: Semisynthesis, ADME-Tox, molecular docking, and molecular dynamics simulations

M. El kouali, N. Mazoir, S. Chtita, 2023, Chemical Physics Impact.

In Vitro and In Silico Evaluation of the Antimicrobial and Antioxidant Activities of Spiropyrazoline Oxindole Congeners

T. Ben Hadda, S. Kawsar, B. Tüzün, 2023, Arabian Journal of Chemistry.

Chromone-isoxazole hybrids molecules: synthesis, spectroscopic, MEDT, ELF, antibacterial, ADME-Tox, molecular docking and MD simulation investigations

K. Hammani, Lahoucine Bahsis, M. El kouali, 2023, Journal of biomolecular structure & dynamics.