Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents

El Rhabori, Said; Alaqarbeh, Marwa; El Aissouq, Abdellah; Bouachrine, Mohammed; Chtita, Samir; Khalil, Fouad

doi:10.1016/j.chphi.2023.100455

Chemical Physics Impact

2024

DOI: 10.1016/j.chphi.2023.100455

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Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents

Said El Rhabori,

Marwa Alaqarbeh,

Abdellah El Aissouq

et al.

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Cited by 8 publications

References 58 publications

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Pharmacophore, QSAR, molecular docking, molecular dynamics and ADMET study of trisubstituted benzimidazole derivatives as potent anti-tubercular agents

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Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents

Cited by 8 publications

References 58 publications

Pharmacophore, QSAR, molecular docking, molecular dynamics and ADMET study of trisubstituted benzimidazole derivatives as potent anti-tubercular agents

Pharmacophore, QSAR, molecular docking, molecular dynamics and ADMET study of trisubstituted benzimidazole derivatives as potent anti-tubercular agents

Gliotoxin triggers cell death through multifaceted targeting of cancer-inducing genes in breast cancer therapy

Efficient synthesis and molecular docking analysis of quinazoline and azole hybrid derivatives as promising agents for anti-cancer and anti-tuberculosis activities

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