Multi-pronged molecular insights into flavonoid-mediated inhibition of squalene epoxidase: a pathway to novel therapeutics

Emadeldin M. Kamel, Sarah I. Othman, Hassan A. Rudayni, Ahmed A. Allam and Al Mokhtar Lamsabhi

RSC Adv., 2025, 15, 3829
DOI: 10.1039/D4RA09076D

Mechanistic insights into the metabolic pathways of vanillin: unraveling cytochrome P450 interaction mechanisms and implications for food safety

Emadeldin M. Kamel, Saleh Maodaa, Esam M. Al-Shaebi and Al Mokhtar Lamsabhi

Org. Biomol. Chem., 2024, 22, 6561
DOI: 10.1039/D4OB00973H

Unraveling molecular mechanisms of β-glucuronidase inhibition by flavonoids from Centaurea scoparia: integrated in silico and in vitro insights

Maha A. Alwaili, Faris F. Aba Alkhayl, Hassan A. Rudayni, Ahmed A. Allam, Naif G. Altoom, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

New J. Chem., 2024, 48, 14236
DOI: 10.1039/D4NJ02393E

OEEFs precisely regulating the propane oxidation reaction catalyzed by O–Fe-corrolazine

Cheng-Cheng Song, Lei Yang, Wei Yang, Xian Bai, Jin-Xia Liang, Haiyan Wang and Chun Zhu

New J. Chem., 2024, 48, 13335
DOI: 10.1039/D4NJ02167C

Unveiling the tyrosinase inhibitory potential of phenolics from Centaurium spicatum: Bridging in silico and in vitro perspectives

Reem S. Alruhaimi, Ayman M. Mahmoud, Ibrahim Elbagory, Ahmad F. Ahmeda, Ashraf A. El-Bassuony, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

Bioorganic Chemistry, 2024, 147, 107397
DOI: 10.1016/j.bioorg.2024.107397

Deciphering molecular mechanisms underlying the inhibition of β-glucuronidase by xanthones from Centaurium spicatum

Emadeldin M. Kamel, Haifa A. Alqhtani, May Bin-Jumah, Hassan A. Rudayni, Ashraf A. El-Bassuony and Al Mokhtar Lamsabhi

Bioorganic Chemistry, 2024, 150, 107609
DOI: 10.1016/j.bioorg.2024.107609

A mechanistic experimental and computational exploration of aldose reductase inhibition by coumarins from Ruta chalepensis

Emadeldin M. Kamel, Doaa A. Abdelrheem, Bashir Salah and Al Mokhtar Lamsabhi

Biochemical and Biophysical Research Communications, 2025, 769, 151946
DOI: 10.1016/j.bbrc.2025.151946

Mechanistic insights into alkaloid-based inhibition of squalene epoxidase: A combined in silico and experimental approach for targeting cholesterol biosynthesis

Emadeldin M. Kamel, Sarah I. Othman, Faris F. Aba Alkhayl, Hassan A. Rudayni, Ahmed A. Allam and Al Mokhtar Lamsabhi

International Journal of Biological Macromolecules, 2025, 302, 140609
DOI: 10.1016/j.ijbiomac.2025.140609

Multidimensional insights into squalene epoxidase drug development: in vitro mechanisms, in silico modeling, and in vivo implications

Ahmed A. Allam, Hassan A. Rudayni, Noha A. Ahmed, Faris F. Aba Alkhayl, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

Expert Opinion on Therapeutic Targets, 2025, 29, 385
DOI: 10.1080/14728222.2025.2500420

Coumarin‐Based Allosteric Inhibition of PTP1B: A Potential Strategy for Metabolic Regulation

Emadeldin M. Kamel, Doaa A. Abdelrheem, Faris F. Aba Alkhayl, Fahad M. Alshabrmi, May Bin‐Jumah, Abdullah S. Alawam and Al Mokhtar Lamsabhi

J of Molecular Recognition, 2025, 38
DOI: 10.1002/jmr.70006

Unraveling the mechanism of carbonic anhydrase IX inhibition by alkaloids from Ruta chalepensis: A synergistic analysis of in vitro and in silico data

Haifa A. Alqhtani, Sarah I. Othman, Faris F. Aba Alkhayl, Naif G. Altoom, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

Biochemical and Biophysical Research Communications, 2024, 733, 150685
DOI: 10.1016/j.bbrc.2024.150685

Symbiotic gut bacteria found capable of producing detoxification enzymes aiding their host, a polyphagous herbivore, Spodoptera litura (Fab.) in its xenobiotic adaptation

Arul Dhayalan, Sumathi Manoharan, Balasubramani Govindasamy and Kamala Jayanthi P D

International Journal of Pest Management, 2025, 1
DOI: 10.1080/09670874.2025.2502362

Watercress-derived glucosinolates as potential allosteric PTP1B inhibitors: a dual in silico and in vitro study on insulin signaling modulation

Noha A. Ahmed, Ahmed A. Allam, Hassan A. Rudayni, Fahad M. Alshabrmi, Faris F. Aba Alkhayl, Doaa A. Abdelrheem, Al Mokhtar Lamsabhi, Sarah I. Othman and Emadeldin M. Kamel

BMC Chemistry, 2025, 19
DOI: 10.1186/s13065-025-01544-9

In vitro and In silico mechanistic insights into PTP1B inhibition by sulfated flavonoids from Flaveria bidentis

Emadeldin M. Kamel, Doaa A. Abdelrheem, Fahad M. Alshabrmi, Faris F. Aba Alkhayl, Sarah I. Othman, Ahmed A. Allam and Al Mokhtar Lamsabhi

Biocatalysis and Biotransformation, 2025, 43, 395
DOI: 10.1080/10242422.2025.2496322

Repurposing Fagonia Indica Alkaloids as Allosteric PTP 1B Inhibitors: Computational Profiling and Biochemical Validation

Emadeldin M. Kamel, Noha A. Ahmed, Adil Abalkhail, May Bin-Jumah, Bassam A. Abuamarah, Faris F. Aba Alkhayl and Al Mokhtar Lamsabhi

Cell Biochem Biophys, 2025, 83, 5535
DOI: 10.1007/s12013-025-01870-8

Repurposing FDA-approved allosteric drugs as non-competitive inhibitors of human UGTs: An integrated computational study and biochemical validation

Emadeldin M. Kamel, Ali H.M. Osman, Sarah I. Othman, Amal Mohamad Husein Mackawy, Faris F. Aba Alkhayl and Al Mokhtar Lamsabhi

Toxicology and Applied Pharmacology, 2025, 502, 117441
DOI: 10.1016/j.taap.2025.117441

Phytochemical inhibitors of squalene epoxidase: Integrated In silico and In vitro mechanistic insights for targeting cholesterol biosynthesis

Emadeldin M. Kamel, Doaa A. Abdelrheem, Bashir Salah and Al Mokhtar Lamsabhi

Archives of Biochemistry and Biophysics, 2025, 768, 110372
DOI: 10.1016/j.abb.2025.110372

Mechanism-based inhibition of squalene epoxidase by phenothiazines for lipid metabolism disruption using repurposed antipsychotic drugs

Emadeldin M. Kamel, Noha A. Ahmed, Faris F. Aba Alkhayl, May Bin-Jumah, Naif G. Altoom, Fahad M. Alshabrmi, Saleh Maodaa and Al Mokhtar Lamsabhi

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-13282-y

Mechanistic Insights into Polyphenols-mediated Squalene Epoxidase Inhibition: Computational Models and Experimental Validation for Targeting Cholesterol Biosynthesis

Emadeldin M. Kamel, Ahmed A. Allam, Hassan A. Rudayni, Saleh Alkhedhairi, Faris F. Aba Alkhayl, Maha A. Alwaili and Al Mokhtar Lamsabhi

Cell Biochem Biophys, 2025, 83, 4531
DOI: 10.1007/s12013-025-01784-5

Retrospection of the USFDA‐Approved Halogenated Drugs and Their Implication in Medicinal Chemistry and Drug Discovery: A Perspective of Approved Drugs Between 2019 and 2024

Nemat Ali, Fahad T. Alotaibi, M. Arockia Babu, Thakur Gurjeet Singh, Ali M. Alaseem, Yogita Tyagi and Nisha Bansal

Archiv der Pharmazie, 2026, 359
DOI: 10.1002/ardp.70190

Comprehensive insights into carbonic anhydrase inhibition: A triad of In vitro, In silico, and In vivo perspectives

Ahmed A. Allam, Hassan A. Rudayni, Noha A. Ahmed, Faris F. Aba Alkhayl, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

Enzyme and Microbial Technology, 2025, 189, 110657
DOI: 10.1016/j.enzmictec.2025.110657

Bridging in silico and in vitro perspectives to unravel molecular mechanisms underlying the inhibition of β-glucuronidase by coumarins from Hibiscus trionum

Emadeldin M. Kamel, Faris F. Aba Alkhayl, Haifa A. Alqhtani, May Bin-Jumah, Hassan A. Rudayni and Al Mokhtar Lamsabhi

Biophysical Chemistry, 2024, 313, 107304
DOI: 10.1016/j.bpc.2024.107304

Mechanism-Based Allosteric Inhibition of PTP1B by Prenylated Flavonoids from Glycyrrhiza echinata: In Vitro Experiments and in Silico Validation

Emadeldin M. Kamel, Doaa A. Abdelrheem, Noha A. Ahmed, Fahad M. Alshabrmi, Faris F. Aba Alkhayl, Maha A. Alwaili, Naif G. Altoom and Al Mokhtar Lamsabhi

Protein J, 2025, 44, 526
DOI: 10.1007/s10930-025-10272-x

Integrating Computational Modeling and Experimental Validation to Unveil Tyrosinase Inhibition Mechanisms of Flavonoids from Alhagi graecorum

Reem S. Alruhaimi, Ayman M. Mahmoud, Sulaiman M. Alnasser, Mohammed F. Alotaibi, Ibrahim Elbagory, Ashraf A. El-Bassuony, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

ACS Omega, 2024, 9, 47167
DOI: 10.1021/acsomega.4c07624

Mechanism-based inhibition of aldose reductase by natural xanthones: Computational and experimental insights for diabetic complications

Emadeldin M. Kamel, Ahmed A. Allam, Hassan A. Rudayni, Sarah I. Othman, Fahad M. Alshabrmi, Faris F. Aba Alkhayl and Al Mokhtar Lamsabhi

Process Biochemistry, 2025, 154, 99
DOI: 10.1016/j.procbio.2025.04.018

Repurposing dual-C-prenylated flavonoids as potent allosteric inhibitors of PTP1B: Integrated phytochemical, enzymological, and in silico evidence

Emadeldin M. Kamel, Sally Mostafa Khadrawy, Ahmed A. Allam, Sarah I. Othman, Doaa A. Abdelrheem, Faris F. Aba Alkhayl and Al Mokhtar Lamsabhi

International Journal of Biological Macromolecules, 2025, 316, 144808
DOI: 10.1016/j.ijbiomac.2025.144808

Mechanism of alkaloid-based inhibition of aldose reductase: Computational perspectives and experimental validations

Emadeldin M. Kamel, Saleh Maodaa, Sarah I. Othman, Adil Abalkhail, Faris F. Aba Alkhayl and Al Mokhtar Lamsabhi

Biochimica et Biophysica Acta (BBA) - General Subjects, 2025, 1869, 130841
DOI: 10.1016/j.bbagen.2025.130841

Multi-pronged approaches to the mechanism-based inactivation of aldose reductase by natural coumarins: molecular insights and experimental validation

Emadeldin M. Kamel, Sarah I. Othman, Faris F. Aba Alkhayl, Fahad M. Alshabrmi, Ahmed A. Allam, Noha A. Ahmed and Al Mokhtar Lamsabhi

3 Biotech, 2025, 15
DOI: 10.1007/s13205-025-04326-1

Mechanistic insights into β-glucuronidase inhibition by isoprenylated flavonoids from Centaurea scoparia: Bridging experimental and computational approaches

Maha A. Alwaili, Faris F. Aba Alkhayl, Hassan A. Rudayni, Ahmed A. Allam, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

Journal of Molecular Structure, 2025, 1322, 140354
DOI: 10.1016/j.molstruc.2024.140354

Unveiling the Molecular Mechanisms of Squalene Epoxidase Inhibition by Flavonoids from Erythrina speciosa: Integrative Computational and Experimental Insights

Rasha H. Elsayed, Ayman M. Mahmoud, Sayed A. El-Toumy, Sayed A. Ahmed, Bashir Salah, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

Rev. Bras. Farmacogn., 2025, 35, 599
DOI: 10.1007/s43450-025-00649-5

Dynamic interactions and inhibitory mechanisms of Artemisia annua terpenoids with carbonic anhydrase IX

Emadeldin M. Kamel, Faris F. Aba Alkhayl, Haifa A. Alqhtani, May Bin-Jumah and Al Mokhtar Lamsabhi

International Journal of Biological Macromolecules, 2024, 282, 136982
DOI: 10.1016/j.ijbiomac.2024.136982

Glucosinolate-Mediated Inhibition of Carbonic Anhydrase IX: A Study on Turnip (Brassica rapa) and its Potential in Cancer Prevention

Emadeldin M. Kamel, Ahmed A. Allam, Hassan A. Rudayni, Saleh Alkhedhairi, Faris F. Aba Alkhayl, May Bin-Jumah, Doaa A. Abdelrheem and Al Mokhtar Lamsabhi

Food Biophysics, 2025, 20
DOI: 10.1007/s11483-025-09992-5

Phenolic-based allosteric inhibition of PTP1B: unlocking new therapeutic potential for metabolic disorders

Emadeldin M. Kamel, Ahmed A. Allam, Hassan A. Rudayni, Fahad M. Alshabrmi, Faris F. Aba Alkhayl and Al Mokhtar Lamsabhi

J Comput Aided Mol Des, 2025, 39
DOI: 10.1007/s10822-025-00616-1

Dissecting molecular mechanisms underlying the inhibition of β-glucuronidase by alkaloids from Hibiscus trionum: Integrating in vitro and in silico perspectives

Emadeldin M. Kamel, Faris F.Aba Alkhayl, Haifa A. Alqhtani, May Bin-Jumah, Hassan A. Rudayni and Al Mokhtar Lamsabhi

Computers in Biology and Medicine, 2024, 180, 108969
DOI: 10.1016/j.compbiomed.2024.108969

Deciphering the Molecular Mechanisms of Reactive Metabolite Formation in the Mechanism-Based Inactivation of Cytochrome p450 1B1 by 8-Methoxypsoralen and Assessing the Driving Effect of phe268

Emadeldin M. Kamel, Maha A. Alwaili, Hassan A. Rudayni, Ahmed A. Allam and Al Mokhtar Lamsabhi

Molecules, 2024, 29, 1433
DOI: 10.3390/molecules29071433

A Multidisciplinary Approach to Targeting PTP1B Inhibition Mechanisms in Metabolic Disorders Using Flavonoids From Scutellaria Salviifolia: An Integrative In Vitro and In Silico Analysis

Emadeldin M. Kamel, Faris F. Aba Alkhayl, May Bin‐Jumah, Naif G. Altoom, Fahad M Alshabrmi and Al Mokhtar Lamsabhi

ChemistrySelect, 2025, 10
DOI: 10.1002/slct.202500349

Repurposing Ammi visnaga Furanocoumarins as Potent Squalene Epoxidase Inhibitors to Disrupt Lipid Metabolism: An Integrated Phytochemical, In Vitro, and In Silico Study

Emadeldin M. Kamel, Doaa A. Abdelrheem, Fahad M. Alshabrmi, Maha A. Alwaili, Faris F. Aba Alkhayl and Al Mokhtar Lamsabhi

Mol Biotechnol, 2025
DOI: 10.1007/s12033-025-01524-3

Synthesis of novel benzene bissulfonamides with carbonic anhydrase and choline esterase inhibitory properties

Uğur Canoğlu, Akın Akıncıoğlu, Necla Öztaşkın, Ahmet Çağan, Rüya Sağlamtaş, Hülya Akıncıoğlu and Süleyman Göksu

Bioorganic Chemistry, 2025, 165, 108938
DOI: 10.1016/j.bioorg.2025.108938