A new class of anti-proliferative activity and apoptotic inducer with molecular docking studies for a novel of 1,3-dithiolo[4,5-b]quinoxaline derivatives hybrid with a sulfonamide moiety

Mostafa A. Ismail, Moustafa S. Abusaif, Mohamed S. A. El-Gaby, Yousry A. Ammar and Ahmed Ragab

RSC Adv., 2023, 13, 12589
DOI: 10.1039/D3RA01635H

Design, green synthesis, and quorum sensing quenching potential of novel 2-oxo-pyridines containing a thiophene/furan scaffold and targeting a LasR gene on P. aeruginosa

Yousry A. Ammar, Ahmed Ragab, M. A. Migahed, S. Al-Sharbasy, Mohamed A. Salem, Omnia Karem M. Riad, Heba Mohammed Refat M. Selim, Gehad A. Abd-elmaksoud and Moustafa S. Abusaif

RSC Adv., 2023, 13, 27363
DOI: 10.1039/D3RA04230H

Innovation of 6-sulfonamide-2H-chromene derivatives as antidiabetic agents targeting α-amylase, α-glycosidase, and PPAR-γ inhibitors with in silico molecular docking simulation

Hamdy Khamees Thabet, Ahmed Ragab, Mohd Imran, Mohamed Hamdy Helal, Saleh Ibrahim Alaqel, Ahmed Alshehri, Abida Ash Mohd, Saleh Saad Alshammari, Yousry A. Ammar and Moustafa S. Abusaif

RSC Adv., 2024, 14, 15691
DOI: 10.1039/D4RA02143F

A momentous progress update: epidermal growth factor receptor inhibitors as viable agents for combating cancer

Neha Jangra, Bharti Sharma, Deepak Kumar and Archana Kapoor

RSC Med. Chem., 2025, 16, 3893
DOI: 10.1039/D4MD00799A

Development of novel salicylic acid derivatives with dual anti-inflammatory and anti-arthritic potentials: synthesis, in vitro bio-evaluation, and in silico toxicity prediction with molecular modeling simulations

Kholoud Hesham, Wael M. Aboulthana and Ahmed Ragab

RSC Adv., 2026, 16, 3509
DOI: 10.1039/D5RA07622F

Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents

Nagwa M. Abdelazeem, Wael M. Aboulthana, Ashraf S. Hassan, Abdulrahman A. Almehizia, Ahmed M. Naglah and Hamad M. Alkahtani

Saudi Pharmaceutical Journal, 2024, 32, 102025
DOI: 10.1016/j.jsps.2024.102025

Advances in VEGFR Inhibitors: A Comprehensive Review of Novel Anticancer Agents

Sumeet Jha, Sneha Gupta, Supriya Rani, Pinky Arora, Neeraj Choudhary and Shubham Kumar

ACAMC, 2025, 25, 663
DOI: 10.2174/0118715206356712241202112641

Synthesis and anti-breast cancer evaluation of fused imidazole-imidazo[1,2-c][1,2,3]triazoles: PEG-400 mediated one-pot reaction under ultrasonic irradiation

Shaik Johnpasha, Rambabu Palabindela, Mohammad Azam, Ravikumar Kapavarapu, Venkatarathnam Nasipireddy, Saud I. Al-Resayes and Sirassu Narsimha

Journal of Molecular Structure, 2024, 1312, 138440
DOI: 10.1016/j.molstruc.2024.138440

A new class of anticancer activity with computational studies for a novel bioactive aminophosphonates based on pyrazole moiety

Mohamed H. Baren, Seham A. Ibrahim, Munirah M. Al-Rooqi, Saleh A. Ahmed, Mohammed M. El-Gamil and Hend A. Hekal

Sci Rep, 2023, 13
DOI: 10.1038/s41598-023-40265-8

Design, Synthesis, Anticancer Evaluation and Molecular Modeling Studies of New Thiazolidinone‐Benzoate Scaffold as EGFR Inhibitors, Cell Cycle Interruption and Apoptosis Inducers in HepG2

Salwa Magdy Eldaly, Dalia Salama Zakaria and Nadia Hanafy Metwally

Chemistry & Biodiversity, 2023, 20
DOI: 10.1002/cbdv.202300138

Discovery and optimization of 2-pyridones as dual h-DHFR/EGFRTK inhibitors with immunomodulatory potential; design, synthesis, anti-proliferative activity, and apoptosis inducer

Ahmed Ragab, Reham R. Raslan, Moustafa S. Abusaif, Hamdy Khamees Thabet, Yousry A. Ammar and Nirvana A. Gohar

European Journal of Medicinal Chemistry, 2025, 294, 117751
DOI: 10.1016/j.ejmech.2025.117751

Exploring novel of 1,2,4-triazolo[4,3-a]quinoxaline sulfonamide regioisomers as anti-diabetic and anti-Alzheimer agents with in-silico molecular docking simulation

Moustafa S. Abusaif, Ahmed M. Sh El-Sharief, Yehia A. Mohamed, Yousry A. Ammar, Mostafa A. Ismail, Wael M. Aboulthana, Mohamed S. A. El-Gaby and Ahmed Ragab

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-03139-9

Imidazole–Oxadiazole‐Linked Sulfonyl‐1,2,3‐triazoles as Potential EGFR Inhibitors for Lung Cancer Treatment

Venkat Reddy Dodlapati, Mohammad Azam, Sarfaraz Ahmed, Kim Min and Sirassu Narsimha

ChemistrySelect, 2025, 10
DOI: 10.1002/slct.202504584

Synthesis of novel cyanopyridine compounds as potential EGFR inhibitors targeting A549 and PC3 cancer cell lines: In vitro, In vivo and ADME pharmacokinetics studies

Elsayed H. Eltamany, Shrouk M. Shaban, Ahmed T.A. Boraei, Emad M.A. Gad and Mohamed S. Nafie

Journal of Molecular Structure, 2024, 1306, 137906
DOI: 10.1016/j.molstruc.2024.137906

Novel 3‐Substituted‐2H‐Chromene Scaffold Based Fluorinated Hydrophobic Fragment as In‐Vitro Antiproliferative Agents and Apoptosis Inducers Targeting Both VEGFR‐2/BRAFV600E and h‐DHFR With Molecular Docking Simulation

Mohamed A. Salem, Moustafa S. Abusaif, Nirvana A. Gohar, Yousry A. Ammar and Ahmed Ragab

Drug Development Research, 2025, 86
DOI: 10.1002/ddr.70085

Synthesis of Imidazo[1,2‐a]pyridine‐Isoquinoline Derivatives as Potent EGFR Inhibiting Anticancer Agents

Mahendar Reddy Gunuguntla, Manjunatha Hanumantharayappa and Shiva Kumar Koppula

ChemistrySelect, 2024, 9
DOI: 10.1002/slct.202304780

Exploring a novel thiazole derivatives hybrid with fluorinated-indenoquinoxaline as dual inhibitors targeting VEGFR2/AKT and apoptosis inducers against hepatocellular carcinoma with docking simulation

Moustafa S. Abusaif, Ahmed Ragab, Eman A. Fayed, Yousry A. Ammar, Ayah M.H. Gowifel, Soha Osama Hassanin, Ghada E. Ahmed and Nirvana A. Gohar

Bioorganic Chemistry, 2025, 154, 108023
DOI: 10.1016/j.bioorg.2024.108023

Development of new urea derivatives based on isoniazid as antiproliferative agents and apoptosis inducers targeting VEGFR-2 with in-silico ADMET and molecular docking simulation

Ahmed Ragab, Alžbeta Minarčíková, Angela Kleinová, Juraj Kronek and Zuzana Kroneková

Journal of Molecular Structure, 2025, 1341, 142584
DOI: 10.1016/j.molstruc.2025.142584

Targeting EGFR With Indole Derivatives: Recent Advances and Therapeutic Perspectives

Tanishq Verma, Anuradha Mehra and Amit Mittal

Chemistry & Biodiversity, 2026, 23
DOI: 10.1002/cbdv.202502968

Explore new quinoxaline pharmacophore tethered sulfonamide fragments as in vitro α‐glucosidase, α‐amylase, and acetylcholinesterase inhibitors with ADMET and molecular modeling simulation

Ahmed Ragab, Mohamed A. Salem, Yousry A. Ammar, Wael M. Aboulthana, Mohamed H. Helal and Moustafa S. Abusaif

Drug Development Research, 2024, 85
DOI: 10.1002/ddr.22216

An efficient synthesis, anticancer and antimycobacterial activities of new substituted pyridine based azomethine derivatives

Sanjay Shriramrao Kotalwar, Rajendra Prahlad Phase, Amol Diliprao Kale, Gautam Prabhakar Sadawarte and Vasant Bhagwan Jagrut

Eur. J. Chem., 2025, 16, 129
DOI: 10.5155/eurjchem.16.2.129-135.2621

Utilising UPLC-QTOF-MS/MS to determine the phytochemical profile and in vitro cytotoxic potential of Ziziphora capitata L. with molecular docking simulation

Youssif M. Youssif, Gameel A. M. Elhagali, Medhat A. Zahran, Fatma A. Ahmed and Ahmed Ragab

Natural Product Research, 2025, 39, 3417
DOI: 10.1080/14786419.2024.2335666

Development of pyrazole and pyrazolopyrimidine derivatives as promising anti-MRSA agents targeting penicillin-binding protein (PBP2a) and mecA gene

Ahmed Ragab, Moustafa S. Abusaif, Heba Mohammed Refat M. Selim, Omnia Karem M. Riad, Mohamed H. Helal, Abeer M. Ali, Yousry A. Ammar and Ghada E. Ahmed

Bioorganic Chemistry, 2025, 165, 108977
DOI: 10.1016/j.bioorg.2025.108977

Synthesis, docking studies, in silico ADMET predictions, DFT calculations, and photophysical properties of thiazole-anthracene hybrids as potent EGFR inhibitors

Rambabu Palabindela, Ramakrishna Bodapati, Prabhakar Myadaraveni, Gondru Ramesh and Mamatha Kasula

Journal of Molecular Structure, 2024, 1317, 139067
DOI: 10.1016/j.molstruc.2024.139067

Drug design, green synthesis, in-vitro antibacterial and antifungal activities, computational investigation, and molecular docking studies of novel spiro-indoline-pyrano-pyrimidine and pyrazolo derivatives

Faiza Boukezzoula, Oussama Khaoua, Nora Chouha, Ridha Bendaas, Noura Benbellat, José Carlos Menéndez, Gilbert Kirsch and Abdelatif Messaoudi

Journal of Molecular Structure, 2025, 1333, 141684
DOI: 10.1016/j.molstruc.2025.141684

Synthesis of Fully Substituted 1,2,3-Triazoles via Organocatalytic [3+2] Cycloaddition: Incorporation of Pyrazole and Imidazole Scaffolds as Potent EGFR-Targeted Anticancer Agents

Sreenivas Tumu, A. Samba Shiva Rao and Jagadeesh Kumar Ega

Russ J Bioorg Chem, 2025, 51, 1700
DOI: 10.1134/S1068162024606633

Exploration Novel of Pyrazole and Isoxazole Derivatives as Potential Antimicrobial Agents: Design, Synthesis, Structure Activity Relationship Study, and Antibiofilm Activity With Molecular Docking Simulation

Khadija E. Saadon, Ahmed Ragab, Nadia M. H. Taha, N. A. Mahmoud, Ali Kh. Khalil and Gameel A. M. Elhagali

Drug Development Research, 2025, 86
DOI: 10.1002/ddr.70189

Synthesis, Characterization, in silico DFT, Molecular docking, ADMET Profiling Studies and Toxicity Predictions of Ag(I) Complex Derived from 4‐Aminoacetophenone

Hussein Ali Kadhim Kyhoiesh and Haider M. Hassan

ChemistrySelect, 2024, 9
DOI: 10.1002/slct.202304429

Development of novel pyridine containing acylhydrazones as anticancer agents that target VEGFR-2 in human breast cancer cells

Rashmi Shivakumar, Bhoomika B. Ravi, C.N. Bhanu Prakash, Toreshettahally R. Swaroop, Kanchugarakoppal S. Rangappa and Basappa Basappa

Letters in Drug Design & Discovery, 2025, 22, 100246
DOI: 10.1016/j.lddd.2025.100246

A New Benzo[6,7]oxepino[3,2-b] Pyridine Derivative Induces Apoptosis in Canine Mammary Cancer Cell Lines

Natamon Jianpraphat, Wachiraphan Supsavhad, Paiboon Ngernmeesri, Kannika Siripattarapravat, Sirikul Soontararak, Nattaphong Akrimajirachoote, Napasorn Phaochoosak and Usuma Jermnak

Animals, 2024, 14, 386
DOI: 10.3390/ani14030386

Development of novel imidazole-2-one/-2-thione heterocyclic derivatives as antimicrobial and antiproliferative agents and evaluation through biological studies and molecular modeling simulations

Abdullah Y․ A․ Alzahrani

Journal of Molecular Structure, 2025, 1324, 140959
DOI: 10.1016/j.molstruc.2024.140959

Synthesis and biological evaluation of coumarine-imidazo[1,2-c][1,2,3]triazoles: PEG-400 mediated one-pot reaction under ultrasonic irradiation

Rajkumar Samala, Satheesh Kumar Nukala, Ravinder Manchal, Vasudeva Reddy Nagavelli and Sirassu Narsimha

Journal of Molecular Structure, 2023, 1290, 135944
DOI: 10.1016/j.molstruc.2023.135944

Discovery of new thiazolidin-4-one and thiazole nucleus incorporation sulfaguanidine scaffold as new class of antimicrobial agents: Design, synthesis, in silico ADMET, and docking simulation

Ola A. Abu Ali, Ahmed Ragab, Yousry A. Ammar and Moustafa S. Abusaif

Journal of Molecular Structure, 2025, 1334, 141879
DOI: 10.1016/j.molstruc.2025.141879

Thiazole tethered adamantane derivatives as potential FMDV inhibitors: Design, synthesis, antiviral activity, and molecular modeling simulations

Ola A.Abu Ali, Yousry A. Ammar, Moustafa S. Abusaif and Ahmed Ragab

Journal of Molecular Structure, 2026, 1357, 145229
DOI: 10.1016/j.molstruc.2025.145229

Amino Acid Profile, in vitro Cytotoxic Activity of Herniaria hemistemon J. Gay Extract and Isolated Chemical Constituents with Reference to Molecular Docking Simulation

Youssif M. Youssif, Ahmed Ragab, Atef E. M. Abozeed, Abdelnasser A. Kobisi and Gameel A. M. Elhagali

Chemistry Africa, 2024, 7, 3037
DOI: 10.1007/s42250-024-00997-0

Rational design, synthesis, and in silico evaluation of novel pyridine-based heterocyclic compounds as multifunctional antidiabetic agents: molecular docking and ADMET profiling

Mohamed H. Helal, Ahmed Ragab, Moustafa S. Abusaif, Entsar M. Ahmed, Sobhi M. Gomha, Yousry A. Ammar and Sally I. Eissa

Journal of Molecular Structure, 2026, 1349, 143703
DOI: 10.1016/j.molstruc.2025.143703

Discovery of novel 6-(piperidin-1-ylsulfonyl)-2H-chromenes targeting α-glucosidase, α-amylase, and PPAR-γ: Design, synthesis, virtual screening, and anti-diabetic activity for type 2 diabetes mellitus

Hamdy Khamees Thabet, Moustafa S. Abusaif, Mohd Imran, Mohamed Hamdy Helal, Saleh Ibrahim Alaqel, Ahmed Alshehri, Abida Ash Mohd, Yousry A. Ammar and Ahmed Ragab

Computational Biology and Chemistry, 2024, 111, 108097
DOI: 10.1016/j.compbiolchem.2024.108097

Challenging the Biginelli scaffold to surpass the first line antitubercular drugs: Mycobacterium tuberculosis thymidine monophosphate kinase (TMPK mt ) inhibition activity and molecular modelling studies

Mai S. El-Shoukrofy, Amal Atta, Salwa Fahmy, Dharmarajan Sriram, Michael G. Shehat, Ibrahim M. Labouta and Mona A. Mahran

Journal of Enzyme Inhibition and Medicinal Chemistry, 2024, 39
DOI: 10.1080/14756366.2024.2386668

Recent advances in clinically approved nitrogenous heterocycle-based drugs and EGFR Tyrosine kinase inhibitors for precision oncology (2020–2024): a review

Ali Irfan, Sami A. Al-Hussain, Tahira Khalid, Iqra Nasim, Mariusz Mojzych and Magdi E. A. Zaki

J. Saudi Chem. Soc., 2025, 29
DOI: 10.1007/s44442-025-00040-y