Quinoxaline derivatives as a promising scaffold for breast cancer treatment

Rogy R. Ezz Eldin, Ahmed A. Al-Karmalawy, Mohammad Hayal Alotaibi and Marwa A. Saleh

New J. Chem., 2022, 46, 9975
DOI: 10.1039/D2NJ00050D

Newly synthesized series of oxoindole–oxadiazole conjugates as potential anti-SARS-CoV-2 agents:in silicoandin vitrostudies

Rana M. El-Masry, Ahmed A. Al-Karmalawy, Radwan Alnajjar, Sara H. Mahmoud, Ahmed Mostafa, Hanan H. Kadry, Sahar M. Abou-Seri and Azza T. Taher

New J. Chem., 2022, 46, 5078
DOI: 10.1039/D1NJ04816C

Design, synthesis, biological evaluation, and SAR studies of novel cyclopentaquinoline derivatives as DNA intercalators, topoisomerase II inhibitors, and apoptotic inducers

Mohamed M. Hammoud, Alaa S. Nageeb, M. A. Morsi, Esam A. Gomaa, Ayman Abo Elmaaty and Ahmed A. Al-Karmalawy

New J. Chem., 2022, 46, 11422
DOI: 10.1039/D2NJ01646J

Design and synthesis of novel benzoazoninone derivatives as potential CBSIs and apoptotic inducers: In Vitro, in Vivo, molecular docking, molecular dynamics, and SAR studies

Mohamed M. Hammouda, Ayman Abo Elmaaty, Mohamed S. Nafie, Marwa Abdel-Motaal, Noha S. Mohamed, Mohamed A. Tantawy, Amany Belal, Radwan Alnajjar, Wagdy M. Eldehna and Ahmed A. Al‐Karmalawy

Bioorganic Chemistry, 2022, 127, 105995
DOI: 10.1016/j.bioorg.2022.105995

Investigation of the phytochemical composition, antioxidant, antibacterial, anti-osteoarthritis, and wound healing activities of selected vegetable waste

Mohamed A. Salem, Osama G. Mohamed, Esraa M. Mosalam, Aya Ibrahim Elberri, Hend Mohamed Abdel-Bar, Mariam Hassan, Ahmed A. Al-Karmalawy, Ashootosh Tripathi, Shahira M. Ezzat and Hend E. Abo Mansour

Sci Rep, 2023, 13
DOI: 10.1038/s41598-023-38591-y

Taming Food–Drug Interaction Risk: Potential Inhibitory Effects of Citrus Juices on Cytochrome Liver Enzymes Can Safeguard the Liver from Overdose Paracetamol-Induced Hepatotoxicity

Aya S. Shalaby, Hanaa H. Eid, Riham A. El-Shiekh, Osama G. Mohamed, Ashootosh Tripathi, Ahmed A. Al-Karmalawy, Amany A. Sleem, Fatma Adly Morsy, Khaled M. Ibrahim, Soad H. Tadros and Fadia S. Youssef

ACS Omega, 2023, 8, 26444
DOI: 10.1021/acsomega.3c03100

Metformin ameliorates doxorubicin-induced cardiotoxicity targeting HMGB1/TLR4/NLRP3 signaling pathway in mice

Amany A. Alzokaky, Ahmed A. Al-Karmalawy, Mohamed A. Saleh, Walied Abdo, Amira E. Farage, Amany Belal, Mohammed A.S. Abourehab and Samar A. Antar

Life Sciences, 2023, 316, 121390
DOI: 10.1016/j.lfs.2023.121390

Design, synthesis, and anticancer evaluation of new Quinazoline hybrids: DNA intercalation, topoisomerase IIα inhibition, and in silico studies

Rasha A. Hassan, Zeinab Mahmoud, Ayman Abo Elmaaty, Mohamed R. Elnagar, Amr M. Abdou, Akram Hifny Abd El-Haleem and Mohammed I.A. Hamed

Bioorganic Chemistry, 2025, 164, 108921
DOI: 10.1016/j.bioorg.2025.108921

Computational Design, Synthesis, and Bioevaluation of 2-(Pyrimidin-4-yl)oxazole-4-carboxamide Derivatives: Dual Inhibition of EGFRWT and EGFRT790M with ADMET Profiling

Nilesh Raghunath Khedkar, Milind Sindkhedkar and Alex Joseph

Bioorganic Chemistry, 2024, 143, 107027
DOI: 10.1016/j.bioorg.2023.107027

Design, synthesis, and SAR studies of novel 4-methoxyphenyl pyrazole and pyrimidine derivatives as potential dual tyrosine kinase inhibitors targeting both EGFR and VEGFR-2

Abeer M. El-Naggar, A.M.A. Hassan, Eslam B. Elkaeed, Mohamed S. Alesawy and Ahmed A. Al‐Karmalawy

Bioorganic Chemistry, 2022, 123, 105770
DOI: 10.1016/j.bioorg.2022.105770

Ligand-based design, synthesis, computational insights, and in vitro studies of novel N -(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease

Mohamed Elagawany, Ayman Abo Elmaaty, Ahmed Mostafa, Noura M. Abo Shama, Eman Y. Santali, Bahaa Elgendy and Ahmed A. Al-Karmalawy

Journal of Enzyme Inhibition and Medicinal Chemistry, 2022, 37, 2112
DOI: 10.1080/14756366.2022.2105322

Design, synthesis, characterization, in silico, in vitro and in vivo antidiabetic studies of novel benzothiophene derivatives

Olajide B. Omoyeni, Kolade O. Faloye, Rajesh B. Patil, Emmanuel G. Fakola, Sulaimon O. Olaniyi, Ayobami J. Olusola, Felix O. Gboyero, Ahmad J. Obaidullah and Jawaher M. Alotaibi

J Comput Aided Mol Des, 2025, 39
DOI: 10.1007/s10822-025-00638-9

Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFR WT and EGFR T790M inhibitors

Tarfah Al-Warhi, Ahmed A. Al-Karmalawy, Ayman Abo Elmaaty, Maha A. Alshubramy, Marwa Abdel-Motaal, Taghreed A. Majrashi, Medhat Asem, Ahmed Nabil, Wagdy M. Eldehna and Marwa Sharaky

Journal of Enzyme Inhibition and Medicinal Chemistry, 2023, 38, 176
DOI: 10.1080/14756366.2022.2135512

Elaboration of chitosan nanoparticles loaded with star anise extract as a therapeutic system for lung cancer: Physicochemical and biological evaluation

Mahmoud A. Abdelaziz, Adel I. Alalawy, Mohamed Sobhi, Omar M. Alatawi, Omaymah Alaysuy, Maryam G. Alshehri, ELsiddig Idriss Mohamed, Maiar M. Abdelaziz, Ibrahim A. Algrfan and Rafat M. Mohareb

International Journal of Biological Macromolecules, 2024, 279, 135099
DOI: 10.1016/j.ijbiomac.2024.135099

Investigating the Potential Anti-SARS-CoV-2 and Anti-MERS-CoV Activities of Yellow Necklacepod among Three Selected Medicinal Plants: Extraction, Isolation, Identification, In Vitro, Modes of Action, and Molecular Docking Studies

Howaida I. Abd-Alla, Omnia Kutkat, Heba-tollah M. Sweelam, Wagdy M. Eldehna, Marwa A. Mostafa, Magda T. Ibrahim, Yassmin Moatasim, Mohamed GabAllah and Ahmed A. Al-Karmalawy

Metabolites, 2022, 12, 1109
DOI: 10.3390/metabo12111109

Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential antitumor activity

Mohamed M. Hammoud, Muhammad Khattab, Marwa Abdel-Motaal, Johan Van der Eycken, Radwan Alnajjar, Hamada S. Abulkhair and Ahmed Ali Al‐Karmalawy

Journal of Biomolecular Structure and Dynamics, 2022, 1
DOI: 10.1080/07391102.2022.2082533

In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus

Dalia Elebeedy, Ingy Badawy, Ayman Abo Elmaaty, Moustafa M. Saleh, Ahmed Kandeil, Aml Ghanem, Omnia Kutkat, Radwan Alnajjar, Ahmed I. Abd El Maksoud and Ahmed A. Al-karmalawy

Computers in Biology and Medicine, 2022, 141, 105149
DOI: 10.1016/j.compbiomed.2021.105149

Design and synthesis of novel tetrabromophthalimide derivatives as potential tubulin inhibitors endowed with apoptotic induction for cancer treatment

Marwa Abdel‐Motaal, Dalal A. Aldakhili, Ayman Abo Elmaaty, Marwa Sharaky, Mai A. E. Mourad, Abdullah Y. A. Alzahrani, Nadia A. Mohamed and Ahmed A. Al‐Karmalawy

Drug Development Research, 2024, 85
DOI: 10.1002/ddr.22197

Tubulin inhibitors: an insight into new strategies to combat leukemia

Sangeeta Verma, Pankaj Gupta, Rakesh Narang, Sukhbir Lal and Vikramjeet Singh

Future Medicinal Chemistry, 2025, 17, 2043
DOI: 10.1080/17568919.2025.2546774

Computational Design of New 3‐Phenoxy β‐Lactams as Tubulin Polymerization Inhibitors for Breast Cancer Therapy

Jamal Zrinej, Mohamed Ouabane, Abdelkrim Guendouzi, Chakib Sekkate, Tahar Lakhlifi and Mohammed Bouachrine

ChemistrySelect, 2025, 10
DOI: 10.1002/slct.202501238

Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies

Mai E. Hussein, Osama G. Mohamed, Ahlam M. El-Fishawy, Hesham I. El-Askary, Ahmed A. Hamed, Marwa M. Abdel-Aziz, Radwan Alnajjar, Amany Belal, Ahmed M. Naglah, Abdulrahman A. Almehizia, Ahmed A. Al-Karmalawy, Ashootosh Tripathi and Amira S. El Senousy

Plants, 2022, 11, 3286
DOI: 10.3390/plants11233286

In Silico and In Vitro Studies for Benzimidazole Anthelmintics Repurposing as VEGFR-2 Antagonists: Novel Mebendazole-Loaded Mixed Micelles with Enhanced Dissolution and Anticancer Activity

Ayman Abo Elmaaty, Khaled M. Darwish, Amani Chrouda, Amira A. Boseila, Mohamed A. Tantawy, Sameh S. Elhady, Afzal B. Shaik, Muhamad Mustafa and Ahmed A. Al-karmalawy

ACS Omega, 2022, 7, 875
DOI: 10.1021/acsomega.1c05519

Rumex Vesicarius L. extract improves the efficacy of doxorubicin in triple-negative breast cancer through inhibiting Bcl2, mTOR, JNK1 and augmenting p21 expression

Aml Ghanem, Ahmed A. Al-Karmalawy, Ahmed I. Abd El Maksoud, Shaden M. Hanafy, Hamdy A. Emara, Rasha M. Saleh and Mohamed F. Elshal

Informatics in Medicine Unlocked, 2022, 29, 100869
DOI: 10.1016/j.imu.2022.100869

Experimental design of D-α-tocopherol polyethylene glycol 1000 succinate stabilized bile salt based Nano-vesicles for improved cytotoxicity and bioavailability of colchicine binding site inhibitor Candidates: In Vitro, in silico, and pharmacokinetic studies

Ayman Abo Elmaaty, Ahmed A. Al‐Karmalawy, Mohamed S. Nafie, Marium M. Shamaa, Islam Zaki, Radwan Alnajjar and Mohamed Y. Zakaria

International Journal of Pharmaceutics, 2023, 640, 122980
DOI: 10.1016/j.ijpharm.2023.122980

Ligand-based design and synthesis of N' -Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro , in vivo, and in silico approaches with SAR studies

Rogy R. Ezz Eldin, Marwa A. Saleh, Mohammad Hayal Alotaibi, Reem K. Alsuair, Yahya A. Alzahrani, Feras A. Alshehri, Amany F. Mohamed, Shaimaa M. Hafez, Azza Ali Althoqapy, Seham K. Khirala, Mona M. Amin, Yousuf A. F, Azza H. AbdElwahab, Mohamed S. Alesawy, Ayman Abo Elmaaty and Ahmed A. Al-Karmalawy

Journal of Enzyme Inhibition and Medicinal Chemistry, 2022, 37, 1098
DOI: 10.1080/14756366.2022.2063282

Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies

Ayman Abo Elmaaty, Wagdy Eldehna, Muhammad Khattab, Omnia Kutkat, Radwan Alnajjar, Ahmed El-Taweel, Sara Al-Rashood, Mohammed Abourehab, Faizah Binjubair, Mohamed Saleh, Amany Belal and Ahmed Al-Karmalawy

IJMS, 2022, 23, 12235
DOI: 10.3390/ijms232012235

New Phenylthiazoles: Design, Synthesis, and Biological Evaluation as Antibacterial, Antifungal, and Anti‐COVID‐19 Candidates

Inas G. Shahin, Khaled O. Mohamed, Azza T. Taher, Mohamed M. Elsebaei, Abdelrahman S. Mayhoub, Asmaa E. Kassab and Ahmed Elshewy

Chemistry & Biodiversity, 2023, 20
DOI: 10.1002/cbdv.202301143

Glimepiride ameliorates renal toxicity induced by cadmium in mice: Modulation of Jun N terminal kinase (JNK)/nuclear factor kappa B (NF-κB) and phosphatidylinositol 3-kinases (PI3K)/protein kinase (AKT) pathways

Mohamed Kh. ElMahdy, Mennatallah O. Zaki, Ahmed A. Al-Karmalawy, Walied Abdo, Sulaiman Mohammed Alnasser and Samar A. Antar

Life Sciences, 2022, 311, 121184
DOI: 10.1016/j.lfs.2022.121184

Robust antiviral activity of commonly prescribed antidepressants against emerging coronaviruses: in vitro and in silico drug repurposing studies

Omnia Kutkat, Yassmin Moatasim, Ahmed A. Al‐Karmalawy, Hamada S. Abulkhair, Mokhtar R. Gomaa, Ahmed N. El-Taweel, Noura M. Abo Shama, Mohamed GabAllah, Dina B. Mahmoud, Ghazi Kayali, Mohamed A. Ali, Ahmed Kandeil and Ahmed Mostafa

Sci Rep, 2022, 12
DOI: 10.1038/s41598-022-17082-6