Gold nanoparticles synthesized from soil-derived Streptomyces sp. ASM19: characterization, antimicrobial, anticancer potency targeted G2/M phase cell-cycle arrest, and in silico studies

Sultan Aati, Hanan Y. Aati, Ahmed A. Hamed, Sherine El-Shamy, Shahad H. Aati, Usama Ramadan Abdelmohsen, Gerhard Bringmann, Mostafa N. Taha, Hossam M. Hassan and Hebatallah S. Bahr

RSC Adv., 2025, 15, 3954
DOI: 10.1039/D4RA07608G

Targeting cell cycle and apoptotic pathways with newly synthesized diselenide-linked imidazolone analogues with strong CDK6-targeting potential

Marwa Abdel-Motaal, Saad Shaaban, Samia S. Hawas, Asma M. Elsharif, Marwa Sharaky, Fatema S. Alatawi, Mohamed E. Eissa, Arwa Omar Al Khatib, Hany M. Abd El-Lateef, Medhat Asem and Ahmed A. Al-Karmalawy

RSC Adv., 2026, 16, 7066
DOI: 10.1039/D5RA10063A

Design and synthesis of novel quinazolinone–chalcone hybrids as potential apoptotic candidates targeting caspase-3 and PARP-1:in vitro, molecular docking, and SAR studies

Eman A. Madbouly, El-Sayed M. Lashine, Ahmed A. Al-Karmalawy, Mahmoud M. Sebaiy, Harris Pratsinis, Dimitris Kletsas and Kamel Metwally

New J. Chem., 2022, 46, 22013
DOI: 10.1039/D2NJ04053K

Design, synthesis, and anticancer evaluation of novel pyrazole–thiophene hybrid derivatives as multitarget inhibitors of wild EGFR, mutant (T790M) EGFR, and VEGFR-2

Mohammed N. Sallam, Ahmed A. Al-Karmalawy, Eslam M. Abbass, Samia S. Hawas, Abeer M. El-Naggar and A. M. A. Hassan

RSC Adv., 2025, 15, 40078
DOI: 10.1039/D5RA06852E

Medicinal chemistry perspectives on anticancer drug design based on clinical applications (2015–2025)

Ahmed A. Al-Karmalawy, Mohamed E. Eissa, Nada A. Ashour, Tarek A. Yousef, Arwa Omar Al Khatib and Samia S. Hawas

RSC Adv., 2025, 15, 36441
DOI: 10.1039/D5RA05472A

Design and synthesis of novel multi-target tetrabromophthalimides as CBS and Topo-II inhibitors and DNA intercalators

Marwa Abdel-Motaal, Dalal Ali Aldakhili, Ayman B. Farag, Ayman Abo Elmaaty, Marwa Sharaky, Nadia A. Mohamed, Saad Shaaban, Abdullah Yahya Abdullah Alzahrani and Ahmed A. Al-Karmalawy

RSC Med. Chem., 2024, 15, 3800
DOI: 10.1039/D4MD00585F

Targeted synthesis of a trimethoxyphenyltetrahydropyrimidine analogue designed as a DNA intercalator: in silico, multi-spectroscopic, thermodynamic, and in vitro approaches

Ahmed A. Al-Karmalawy, Ayman Abo Elmaaty, Galal Magdy, Aya Saad Radwan, Radwan Alnajjar, Moataz A. Shaldam, Arwa Omar Al Khatib, Salem Salman Almujri, Abdullah Yahya Abdullah Alzahrani and Haytham O. Tawfik

RSC Adv., 2025, 15, 14946
DOI: 10.1039/D5RA02179K

New multifunctional hybrids as modulators of apoptosis markers and topoisomerase II in breast cancer therapy: synthesis, characterization, and in vitro and in silico studies

Heba W. Alhamdi, Mohammad Y. Alfaifi, Ali A. Shati, Serag Eldin I. Elbehairi, Mohammed Er-rajy, Reda F. M. Elshaarawy, Yasser A. Hassan and Rozan Zakrya

RSC Adv., 2024, 14, 28555
DOI: 10.1039/D4RA04219K

Bridging mechanism and design: modern medicinal chemistry approaches to thymidylate synthase inhibitors

Ahmed A. Al-Karmalawy, Mohamed E. Eissa, Tarek A. Yousef, Arwa Omar Al Khatib and Samia S. Hawas

RSC Adv., 2026, 16, 3564
DOI: 10.1039/D5RA08381H

PTC‐Assisted Chemoselective S‐Alkylation of 5‐Mercapto‐1,3,4‐Oxadiazol Derivative: Multi‐Target Anticancer via EGFR, Telomerase, and Thymidylate Synthase Inhibition With Apoptosis Induction

Asmaa Zakaria, Ahmed A. Al‐Karmalawy, Samia S. Hawas, Ali Khalil Ali, Galal A. Elsayed, Arwa Omar Al Khatib and Eslam M. Abbass

Drug Development Research, 2026, 87
DOI: 10.1002/ddr.70268

Exploring the Topoisomerase II Inhibitory Potential of Steroidal Drugs as a Recommended Mechanism of Action for Their Anticancer Activity: In Silico and In Vitro Assessments

Ahmed A. Al‐Karmalawy, Mohamed E. Eissa, Ayman Abo Elmaaty, Tarek A. Yousef, Arwa Omar Al Khatib, Radwan Alnajjar, Faten Farouk, Amany Belal, Abdullah Yahya Abdullah Alzahrani and Marwa Sharaky

Drug Development Research, 2025, 86
DOI: 10.1002/ddr.70152

Structure based design and synthesis of 3-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2-yl)propanehydrazide derivatives as novel bacterial DNA-gyrase inhibitors: In-vitro, In-vivo, In-silico and SAR studies

Marwa A. Saleh, Ayman Abo Elmaaty, Hoda S. El Saeed, Moustafa M. Saleh, Mohammed Salah and Rogy R. Ezz Eldin

Bioorganic Chemistry, 2022, 129, 106186
DOI: 10.1016/j.bioorg.2022.106186

Investigating the possible mechanisms of pirfenidone to be targeted as a promising anti-inflammatory, anti-fibrotic, anti-oxidant, anti-apoptotic, anti-tumor, and/or anti-SARS-CoV-2

Samar A. Antar, Mohamed A. Saleh and Ahmed A. Al-Karmalawy

Life Sciences, 2022, 309, 121048
DOI: 10.1016/j.lfs.2022.121048

Phytochemical Characterization of Pterocephalus frutescens with In-Silico Evaluation as Chemotherapeutic Medicine and Oral Pharmacokinetics Prediction Study

Atef A. El-Hela, Marwa S. Abu Bakr, Mostafa M. Hegazy, Mohammed A. Dahab, Ayman Abo Elmaaty, Adel Ehab Ibrahim, Sami El Deeb and Hatem S. Abbass

Sci. Pharm., 2023, 91, 7
DOI: 10.3390/scipharm91010007

A novel role of Nano selenium and sildenafil on streptozotocin-induced diabetic nephropathy in rats by modulation of inflammatory, oxidative, and apoptotic pathways

Mona F. El-Azab, Ahmed A. Al-Karmalawy, Samar A. Antar, Pierre A. Hanna, Karim M. Tawfik and Reem M. Hazem

Life Sciences, 2022, 303, 120691
DOI: 10.1016/j.lfs.2022.120691

New imidazole-2-thiones linked to acenaphythylenone as dual DNA intercalators and topoisomerase II inhibitors: structural optimization, docking, and apoptosis studies

Asmaa H. Mohamed, Mohammed B. Alshammari, Ashraf A. Aly, Kamal U. Sadek, Akil Ahmad, Eman A. Aziz, Amira F. El-Yazbi, Eman J. El-Agroudy and Marwa E. Abdelaziz

Journal of Enzyme Inhibition and Medicinal Chemistry, 2024, 39
DOI: 10.1080/14756366.2024.2311818

Thieno[2,3-b]thiophene Derivatives as Potential EGFRWT and EGFRT790M Inhibitors with Antioxidant Activities: Microwave-Assisted Synthesis and Quantitative In Vitro and In Silico Studies

Sanaa A. Ahmed, Moumen S. Kamel, Moustafa O. Aboelez, Xiang Ma, Ahmed A. Al-Karmalawy, Sayed A. S. Mousa, Elders Kh. Shokr, H. Abdel-Ghany, Amany Belal, Mohamed A. El Hamd, Zafer S. Al Shehri and Mahmoud Abd El Aleem Ali Ali El-Remaily

ACS Omega, 2022, 7, 45535
DOI: 10.1021/acsomega.2c06219

RETRACTED: Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relationship Studies

Rogy Ezz Eldin, Marwa Saleh, Sefat Alwarsh, Areej Rushdi, Azza Althoqapy, Hoda El Saeed and Ayman Abo Elmaaty

Pharmaceuticals, 2023, 16, 1247
DOI: 10.3390/ph16091247

Characterization, DFT, DNA, Biological Applications, and In Silico Studies of Mn(II), VO(II), Pd(II), and Cd(II) Complexes Derived From Chromone Isonicotinic Hydrazone Ligand

Mayar Elsherbeny, Usama El‐Ayaan, Yasmeen G. Abou El‐Reash and Gaber M. Abu El‐Reash

Applied Organom Chemis, 2025, 39
DOI: 10.1002/aoc.7822

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

Pharmacophore‐based, rationale design, and efficient synthesis of novel tetrahydrobenzo[b]thiophene candidates as potential dual Topo I/II inhibitors and DNA intercalators

Hager R. Nofal, Ahmed A. Al‐Karmalawy, Ayman Abo Elmaaty, Mahmoud F. Ismail, Ali Khalil Ali and Eslam M. Abbass

Archiv der Pharmazie, 2024, 357
DOI: 10.1002/ardp.202400217

Design and Synthesis of 2-(4-Bromophenyl)Quinoline-4-Carbohydrazide Derivatives via Molecular Hybridization as Novel Microbial DNA-Gyrase Inhibitors

Hany M. Abd El-Lateef, Ayman Abo Elmaaty, Lina M. A. Abdel Ghany, Mohamed S. Abdel-Aziz, Islam Zaki and Noha Ryad

ACS Omega, 2023, 8, 17948
DOI: 10.1021/acsomega.3c01156

Synthesis, toxicological and in silico evaluation of novel spiro pyrimidines against Culex pipiens L. referring to chitinase enzyme

Eslam M. Abbass, Ali Khalil Ali, Ahmed F. El-Farargy, Doaa R. Abdel-Haleem and Safaa S. Shaban

Sci Rep, 2024, 14
DOI: 10.1038/s41598-024-51771-8

Scaffold optimization of indeno[2,1-g]pteridine sulfonates for enhanced DNA interactions, ROS generation, and Topo II inhibition

Meng-Nan Cao, Jian-Guang Wang, Kun Ju, Yun-Hao Liu, Ri-Lei Yu, Ya-Mu Xia and Wei-Wei Gao

European Journal of Medicinal Chemistry, 2026, 302, 118313
DOI: 10.1016/j.ejmech.2025.118313

Multi-target design of fused cyclic pyrimidine-2-thione candidates as DNA intercalators and topoisomerase I/II inhibitors

Mahmoud S. Khalil, Ahmed A. Al-Karmalawy, Ayman Abo Elmaaty, Galal A. Elsayed and A. M. A. Hassan

Future Medicinal Chemistry, 2026, 18, 35
DOI: 10.1080/17568919.2025.2602424

Spectroscopic Characterization, Cyclic Voltammetry, Biological Investigations, MOE, and Gaussian Calculations of VO(II), Cu(II), and Cd(II) Heteroleptic Complexes

Anwer G. Al-Harazie, Esam A. Gomaa, Rania R. Zaky and Mahmoud N. Abd El-Hady

ACS Omega, 2023, 8, 13605
DOI: 10.1021/acsomega.2c07592

New mixed-ligand complexes based on diethyl hydrazine-1,2-dicarboxylate and 2,2′-bipyridine: Synthesis, characterization, cyclic voltammetry and biological applications

Zeinab Salah, Magdy M. Youssef, Heba Youssef and Gaber M. Abu El-Reash

Journal of Molecular Structure, 2026, 1362, 145621
DOI: 10.1016/j.molstruc.2026.145621

Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro , molecular docking, molecular dynamics, and SAR studies

Faten Farouk, Ayman Abo Elmaaty, Ahmed Elkamhawy, Haytham O. Tawfik, Radwan Alnajjar, Mohammed A. S. Abourehab, Mohamed A. Saleh, Wagdy M. Eldehna and Ahmed A. Al‐Karmalawy

Journal of Enzyme Inhibition and Medicinal Chemistry, 2023, 38
DOI: 10.1080/14756366.2023.2171029

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

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

Ligand-Based Design on the Dog-Bone-Shaped BIBR1532 Pharmacophoric Features and Synthesis of Novel Analogues as Promising Telomerase Inhibitors with In Vitro and In Vivo Evaluations

Ahmed A. Al-Karmalawy, Mohamed S. Nafie, Moataz A. Shaldam, Ayman Abo Elmaaty, Samar A. Antar, Anwar A. El-Hamaky, Mohamed A. Saleh, Ahmed Elkamhawy and Haytham O. Tawfik

J. Med. Chem., 2023, 66, 777
DOI: 10.1021/acs.jmedchem.2c01668

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

Comparison on biological inspection, optimization, cyclic voltammetry, and molecular docking evaluation of novel bivalent transition metal chelates of Schiff Base pincer ligand

Alaa S. Nageeb, Mohamed A. Morsi, Esam A. Gomaa, Mohamed M. Hammouda and Rania R. Zaky

Journal of Molecular Structure, 2024, 1300, 137281
DOI: 10.1016/j.molstruc.2023.137281

Harnessing molecular hybridization approach to discover novel quinoline EGFR-TK inhibitors for cancer treatment

Noha Ryad, Ayman Abo Elmaaty, Ibrahim M Ibrahim, Ali Hassan Ahmed Maghrabi, Maryam Abdulrahman Yahya Alahdal, Rasha Mohammed Saleem, Islam Zaki and Lina M A Abdel Ghany

Future Medicinal Chemistry, 2024, 16, 1087
DOI: 10.1080/17568919.2024.2342201

Novel fused imidazotriazines acting as promising top. II inhibitors and apoptotic inducers with greater selectivity against head and neck tumors: Design, synthesis, and biological assessments

Ahmed A. Al-Karmalawy, Mahmoud Rashed, Marwa Sharaky, Hamada S. Abulkhair, Mohamed M. Hammouda, Haytham O. Tawfik and Moataz A. Shaldam

European Journal of Medicinal Chemistry, 2023, 259, 115661
DOI: 10.1016/j.ejmech.2023.115661

Design and synthesis of novel rigid dibenzo[ b,f ]azepines through ring closure technique as promising anticancer candidates against leukaemia and acting as selective topoisomerase II inhibitors and DNA intercalators

Mohammed Farrag El-Behairy, Walaa Hamada Abd-Allah, Mohamed M. Khalifa, Mohamed S. Nafie, Mohamed A. Saleh, Mohammed S. Abdel-Maksoud, Tarfah Al-Warhi, Wagdy M. Eldehna and Ahmed A. Al‐Karmalawy

Journal of Enzyme Inhibition and Medicinal Chemistry, 2023, 38
DOI: 10.1080/14756366.2022.2157825

Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation

Sanjay Soni, Khushbu Patil, Sharad Gavale, Soyeb Pathan, Rasana Yadav, Prashant R. Murumkar and Rahul Kadu

J Comput Aided Mol Des, 2025, 39
DOI: 10.1007/s10822-025-00634-z

Novel Quinoxaline Derivatives: Design, Synthesis, Bioactive Evaluation, SARs, and Preliminary Antibacterial Mechanism

Zhongde Xie, Xuelian Dai and Liqing Wang

Russ J Bioorg Chem, 2023, 49, S132
DOI: 10.1134/S1068162023080113

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

Synthesis of a pincer bis-hydrazone chelator for coordination, thermal, electrochemical, and biological investigations with CuII, CoII, and HgII

Afnan I. Gomaa, Esam A. Gomaa, Rania R. Zaky and Mahmoud N. Abd El-Hady

Journal of Molecular Liquids, 2024, 408, 125375
DOI: 10.1016/j.molliq.2024.125375

Design, Synthesis, Molecular Docking, and In Vitro Antiproliferative Evaluation of Quinoline–Pyranocoumarin Hybrids as Potent DNA Topoisomerase II Inhibitors

Amruta K. Durgi, Ajesh Vijayan and Aravind Krishnan

ChemistrySelect, 2026, 11
DOI: 10.1002/slct.202502953

Discovery of new symmetrical and asymmetrical nitrile-containing 1,4-dihydropyridine derivatives as dual kinases and P-glycoprotein inhibitors: synthesis, in vitro assays, and in silico studies

Mohamed H. Saad, Tarek F. El-Moselhy, Nabaweya S, El-Din, Ahmed B. M. Mehany, Amany Belal, Mohammed A. S. Abourehab, Haytham O. Tawfik and Mervat H. El-Hamamsy

Journal of Enzyme Inhibition and Medicinal Chemistry, 2022, 37, 2489
DOI: 10.1080/14756366.2022.2120478

Continuous Enantioselective α-Alkylation of Ketones via Direct Photoexcitation

Michael Weiser, Ádám Márk Pálvölgyi, Matthias Weil and Katharina Bica-Schröder

J. Org. Chem., 2024, 89, 8906
DOI: 10.1021/acs.joc.4c00759

Investigating the Promising Anticancer Activity of Cetuximab and Fenbendazole Combination as Dual CBS and VEGFR‐2 Inhibitors and Endowed with Apoptotic Potential

Norhan M. Eid, Ahmed A. Al‐Karmalawy, Taha M. A. Eldebss and Heba K. A. Elhakim

Chemistry & Biodiversity, 2024, 21
DOI: 10.1002/cbdv.202302081

Electrochemical and Super Capacitive properties of 4-(2-(1H-benzo[d]imidazol-2-yl)-2-cyanovinyl) benzonitrile: Modified electrodes for sensing and biomedical applications

Ghada M. Zaki, Esam A. Gomaa, Rania R. Zaky, Ahmed M. Sarhan, Saleh M. Elgushe and Mahmoud N. Abdel-Hady

Journal of Molecular Structure, 2026, 1366, 146117
DOI: 10.1016/j.molstruc.2026.146117

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

Topoisomerase I/II inhibitors: from established drugs to next-generation therapeutics

Pinky Arora, Ashi Sharma, Shivank Sharma, Stalin Arulsamy, Neel Mani and Shubham Kumar

Inflammopharmacol, 2026
DOI: 10.1007/s10787-026-02186-6