Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies

por Alzain, Abdulrahim A., Elbadwi, Fatima A.
Publicado 2021

De Novo Design of Cathepsin B1 Inhibitors as Potential Anti-Schistosomal Agents Using Computational Studies

por Alzain, Abdulrahim A, Elbadwi, Fatima A
Publicado 2022

Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies

por Alzain, Abdulrahim A., Elbadwi, Fatima A., Alsamani, Fatima O.
Publicado 2022

Repurposing of approved drugs for targeting CDK4/6 and aromatase protein using molecular docking and molecular dynamics studies

por yousif, Fatima A., Alzain, Abdulrahim A., Alraih, Alhafez M., Ibraheem, Walaa
Publicado 2023

Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics

por Mohammed, Ahmed O., Abo-Idrees, Mazin I., Makki, Alaa A., Ibraheem, Walaa, Alzain, Abdulrahim A.
Publicado 2022

Drug repurposing for SARS-CoV-2 main protease: Molecular docking and molecular dynamics investigations

por Omer, Samia E., Ibrahim, Tawasol M., Krar, Omer A., Ali, Amna M., Makki, Alaa A., Ibraheem, Walaa, Alzain, Abdulrahim A.
Publicado 2022

Discovery of novel natural products as dual MNK/PIM inhibitors for acute myeloid leukemia treatment: Pharmacophore modeling, molecular docking, and molecular dynamics studies

por Mohamed, Linda M., Eltigani, Maha M., Abdallah, Marwa H., Ghaboosh, Hiba, Bin Jardan, Yousef A., Yusuf, Osman, Elsaman, Tilal, Mohamed, Magdi A., Alzain, Abdulrahim A.
Publicado 2022

Identification of novel transmembrane Protease Serine Type 2 drug candidates for COVID-19 using computational studies

por Elbadwi, Fatima A., Khairy, Elaf A., Alsamani, Fatima O., Mahadi, Mariam A., Abdalrahman, Segood E., Ahmed, Zain Alsharf M., Elsayed, Inas, Ibraheem, Walaa, Alzain, Abdulrahim A.
Publicado 2021

Design of Novel Phosphatidylinositol 3-Kinase Inhibitors for Non-Hodgkin’s Lymphoma: Molecular Docking, Molecular Dynamics, and Density Functional Theory Studies on Gold Nanopartic...

por Ali, Abdalrahim M., Makki, Alaa A., Ibraheem, Walaa, Abdelrahman, Mohammed, Osman, Wadah, Sherif, Asmaa E., Ashour, Ahmed, Ibrahim, Sabrin R. M., Ghazawi, Kholoud F., Samman, Waad A., Alzain, Abdulrahim A.
Publicado 2023

Design of Novel Letrozole Analogues Targeting Aromatase for Breast Cancer: Molecular Docking, Molecular Dynamics, and Theoretical Studies on Gold Nanoparticles

por Edris, Alaa, Abdelrahman, Mohammed, Osman, Wadah, Sherif, Asmaa E., Ashour, Ahmed, Garelnabi, Elrashied A. E., Ibrahim, Sabrin R. M., Bafail, Rawan, Samman, Waad A., Ghazawi, Kholoud F., Mohamed, Gamal A., Alzain, Abdulrahim A.
Publicado 2023

Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies

por AbdElmoniem, Nihal, H. Abdallah, Marwa, M. Mukhtar, Rua, Moutasim, Fatima, Rafie Ahmed, Ahmed, Edris, Alaa, Ibraheem, Walaa, Makki, Alaa A., M. Elshamly, Eman, Elhag, Rashid, Osman, Wadah, A. Mothana, Ramzi, Alzain, Abdulrahim A.
Publicado 2023

Exploring the potential of approved drugs for triple-negative breast cancer treatment by targeting casein kinase 2: Insights from computational studies

por Shoaib, Tagyedeen H., Ibraheem, Walaa, Abdelrahman, Mohammed, Osman, Wadah, Sherif, Asmaa E., Ashour, Ahmed, Ibrahim, Sabrin R. M., Ghazawi, Kholoud F., Miski, Samar F., Almadani, Sara A., ALsiyud, Duaa Fahad, Mohamed, Gamal A., Alzain, Abdulrahim A.
Publicado 2023

Molecular Docking and Molecular Dynamics Studies Reveal the Anticancer Potential of Medicinal-Plant-Derived Lignans as MDM2-P53 Interaction Inhibitors

por Shoaib, Tagyedeen H., Abdelmoniem, Nihal, Mukhtar, Rua M., Alqhtani, Amal Th., Alalawi, Abdullah L., Alawaji, Razan, Althubyani, Mashael S., Mohamed, Shaimaa G. A., Mohamed, Gamal A., Ibrahim, Sabrin R. M., Hussein, Hazem G. A., Alzain, Abdulrahim A.
Publicado 2023

Modulation of NRF2/KEAP1-Mediated Oxidative Stress for Cancer Treatment by Natural Products Using Pharmacophore-Based Screening, Molecular Docking, and Molecular Dynamics Studies

por Alzain, Abdulrahim A., Mukhtar, Rua M., Abdelmoniem, Nihal, Shoaib, Tagyedeen H., Osman, Wadah, Alsulaimany, Marwa, Aljohani, Ahmed K. B., Almadani, Sara A., Alsaadi, Baiaan H., Althubyani, Maryam M., Mohamed, Shaimaa G. A., Mohamed, Gamal A., Ibrahim, Sabrin R. M.
Publicado 2023

Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation

por Alzain, Abdulrahim A., Mukhtar, Rua M., Abdelmoniem, Nihal, Elbadwi, Fatima A., Hussien, Amira, Garelnabi, Elrashied A. E., Osman, Wadah, Sherif, Asmaa E., Khedr, Amgad I. M., Ghazawi, Kholoud F., Samman, Waad A., Ibrahim, Sabrin R. M., Mohamed, Gamal A., Ashour, Ahmed
Publicado 2023

Unlocking the potential of approved drugs for the allosteric inhibition of tropomyosin-receptor kinase A using molecular docking and molecular dynamics studies

por Mukhtar, Rua M., Abdelmoniem, Nihal, Elrufaie, Hisham A., Edris, Alaa, Ghaboosh, Hiba, Mahgoub, Mohanad A., Garelnabi, Elrashied A. E., Osman, Wadah, Sherif, Asmaa E., Ashour, Ahmed, Ghazawi, Kholoud F., Samman, Waad A., Alhaddad, Aisha A., Bafail, Rawan, Ibrahim, Sabrin R. M., Mohamed, Gamal A., Alzain, Abdulrahim A.
Publicado 2023

Marine-Derived Compounds for CDK5 Inhibition in Cancer: Integrating Multi-Stage Virtual Screening, MM/GBSA Analysis and Molecular Dynamics Investigations

por Shoaib, Tagyedeen H., Almogaddam, Mohammed A., Andijani, Yusra Saleh, Saib, Samaher Ahmad, Almaghrabi, Najwa Mahmoud, Elyas, Abdulaziz Fahad, Azzouni, Rahmah Yasin, Awad, Ehda Ahmad, Mohamed, Shaimaa G. A., Mohamed, Gamal A., Ibrahim, Sabrin R. M., Hussein, Hazem G. A., Osman, Wadah, Ashour, Ahmed, Sherif, Asmaa E., Alzain, Abdulrahim A.
Publicado 2023