Evaluation of physcion isolated from endophytic Aspergillus fumigatus ASH3 as an antiviral agent against coxsackievirus B4 and herpes simplex virus type 1: in silico-supported invitro study

Theodor Bilharz Research Institute

Bibliographic Information

Authors: Bukhari K.; Elkhouly H.I.; Hasan S.F.; Soliman A.G.; Selim H.M.R.M.; Sidkey N.M.; El-Hosainy A.; Saleh A.; Fahim A.M.; Ghareeb M.A.; Hamed A.A.

Journal: Folia Microbiologica

Publisher: Springer Science and Business Media B.V.

Publication Date: 31 January 2026

ISSN: 155632

DOI: 10.1007/s12223-025-01389-8

Scopus: View on Scopus

Document Type: Article

Authors and Affiliations

Bukhari K., Department of Microbiology and Parasitology, College of Veterinary Medicine, King Faisal University, Hofuf, Al-Ahsa, 36362, Saudi Arabia; Elkhouly H.I., Botany and Microbiology Department, Faculty of Science, Al-Azhar University (Girls Branch), P.O. 11754, Cairo, Yossuf Abbas st, Nasr City, Egypt; Hasan S.F., Botany and Microbiology Department, Faculty of Science, Al-Azhar University (Girls Branch), P.O. 11754, Cairo, Yossuf Abbas st, Nasr City, Egypt; Soliman A.G., Biotechnology Program, Faculty of Agriculture, Ain Shams University, Cairo, Egypt; Selim H.M.R.M., Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Diriyah, Riyadh, 13713, Saudi Arabia, Research Center, Deanship of Scientific Research and Post-Graduate Studies, AlMaarefa University, Diriyah, Riyadh, 13713, Saudi Arabia; Sidkey N.M., Botany and Microbiology Department, Faculty of Science, Al-Azhar University (Girls Branch), P.O. 11754, Cairo, Yossuf Abbas st, Nasr City, Egypt; El-Hosainy A., Botany and Microbiology Department, Faculty of Science, Al-Azhar University (Girls Branch), P.O. 11754, Cairo, Yossuf Abbas st, Nasr City, Egypt; Saleh A., Department of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia; Fahim A.M., Department of Green Chemistry, National Research Centre, P.O. Box 12622, Cairo, Dokki, Egypt; Ghareeb M.A., Medicinal Chemistry Department, Theodor Bilharz Research Institute, P.O. Box 30, Kornaish El-Nile, Warrak El-Hadar, Imbaba, Giza, 12411, Egypt; Hamed A.A., Microbial Chemistry Department, National Research Centre, P.O. 12622, 33 El-Buhouth Street, Dokki, Giza, Egypt

Abstract

Physcion, an anthraquinone compound from the endophytic fungus Aspergillus fumigatus ASH3, isolated from Lotus hebranicus, has been studied for its antiviral activity against Coxsackievirus B4 (CVB4) and Herpes simplex virus type 1 (HSV-1) in the in silico and in vitro study. The MTT assay was performed to investigate cytotoxicity on Vero cells with CC₅₀ of 452.25 ± 4.91 µg/mL and maximum non-toxic concentration (MNTC) of 125 µg/mL, indicating that physcion has relatively low cytotoxicity. At the MNTC, physcion displayed potent antiviral activity with inhibition rates of 90.52% for CVB4 and 83.22% for HSV-1. The IC₅₀ for CVB4 was 70.7 ± 0.86 µg/mL, while HSV-1 was 78.23 ± 0.83 µg/mL; both of which had selectivity index values (SI = 6.40 and 5.78, respectively) that indicate a wide therapeutic index and potent antifungal activity, respectively. Molecular docking studies showed that physcion interacts stably with several viral protein targets, such as HSV-1 DNA polymerase-processivity factor (PDB: 8OJA), HSV UDG (PDB: 5AYS), and the CVB4 terminase complex (PDB: 6M5U), with binding energies from − 5.8 to -7.5 kcal/mol. The docking poses made meaningful hydrogen bonds with key residues such as Ser1183, Lys1136, ArgA134, TyrA138, and Gln223, as well as supporting hydrophobic interactions and π–π stacking that stabilizes the binding. Molecular dynamics simulations confirmed the complexes remained conformationally stable during the 100 ns trajectories with RMSD fluctuations of ≤ 2 Å and maintained hydrogen-bond occupancies. The ADMET profile suggested stringent plasma-protein binding (99.49%), adherence to Lipinski’s and Golden-Triangle rules, modest oral absorption, and low cardiotoxicity (hERG = 0.04), supporting its potential as an orally bioavailable antiviral lead. Overall, the combined in vitro and computational results show physcion is a safe, naturally-derived antiviral candidate with dual activity against human viruses, regardless of enveloped or non-enveloped types. This study represents the first report of the antiviral activity of physcion isolated from A. fumigatus ASH3, positioning it as a promising scaffold to develop novel broad-spectrum antiviral therapeutics. © Institute of Microbiology, Academy of Sciences of the Czech Republic, v.v.i. 2026.

Keywords

ADMET profiling; Aspergillus fumigatus ASH3; Broad-spectrum antiviral agent; Coxsackievirus B4 (CVB4); Herpes simplex virus type 1 (HSV-1); Molecular dynamics simulation; Physcion; SDGs

Citation Information

Scopus Citations: 2

For comprehensive information about the Theodor Bilharz Research Institute (TBRI), its institutional activities, scientific and research achievements, clinical and hospital services, and the diverse expertise offered through its 22 specialized research and clinical departments, as well as opportunities for professional training, specialized workshops, and scientific conferences, readers are invited to visit the Institute’s official website.

The website provides regularly updated information on the Institute’s latest news, research activities, scientific initiatives, clinical services, institutional programs, and academic and professional opportunities.

English Website: https://www.tbri.sci.eg/en/

Arabic Website: https://www.tbri.sci.eg/ar/

Prepared and Uploaded by:

Abdalla F. Abdalla

Electronic Portal Unit

Electronic Portal Unit

Popular Posts

Transcriptome analysis for Schistosoma vector snail’s Oncomelania hupensis exposed to silver nanoparticles

Image
Bibliographic Information Authors: Zayed K.M.; Zhou X.-N. Journal: Journal of Parasitic Diseases Publisher: Springer Publication Date: 3 September 2026 ISSN: 9717196 DOI: 10.1007/s12639-026-01986-5 Scopus: View on Scopus Document Type: Article Authors and Affiliations Zayed K.M., Medical Malacology Department, Theodor Bilharz Research Institute, Giza, 12411, Egypt, National Institute of Parasitic Diseases, Chinese Center for Diseases Control and Prevention, Shanghai, 200025, China, NHC Key Laboratory of Parasite and Vector Biology, WHO Collaborating Centre for Tropical Diseases, National Center for International Research On Tropical Diseases, Ministry of Science and Technology, Shanghai, 200025, China; Zhou X.-N., National Institute of Parasitic Diseases, Chinese Center for Diseases Control and Prevention, Shanghai, 200025, China, NHC Key Laboratory of Parasite and Vector Biology, WHO Collaborating Centre for Tropical Diseases, National Center for International Res...
Read more

Interpretation of liver stiffness measurement in patients with mixed liver disease etiologies

Image
Bibliographic Information Authors: El Ray A.; El Ghannam M.; Rautou P.E. Journal: Arab Journal of Gastroenterology Publisher: Elsevier Ltd Publication Date: August 2026 ISSN: 16871979 DOI: 10.1016/j.ajg.2026.05.002 Scopus: View on Scopus PubMed: 42362465 Document Type: Letter Authors and Affiliations El Ray A., Theodor Bilharz Research Institute, Hepatogastroenterology Department, Giza, Egypt, Faculty of Medicine, October 6 University, Egypt; El Ghannam M., Theodor Bilharz Research Institute, Hepatogastroenterology Department, Giza, Egypt; Rautou P.E., Université Paris-Cité, Inserm, Centre de recherche sur l’inflammation, UMR 1149, Paris, France, AP-HP, Hôpital Beaujon, Service d’Hépatologie, DMU DIGEST, Centre de Référence des Maladies Vasculaires du Foie, FILFOIE, ERN RARE-LIVER, Clichy, France Abstract Vibration-controlled transient elastography (VCTE)–based liver stiffness measurement (LSM) is widely used for non-invasive assessment of liver fibrosis and p...
Read more

Multifunctional polycaprolactone-based composite fibers with icariin and glutathione for effective repair of critical-sized bone defects

Image
Bibliographic Information Authors: Yessuf A.M.; Zhang Y.; Sharma B.P.; Wang Y.; Kassa T.S.; Qadir A.; Jinqiu Y.; Mohideen M.M.; Salama A.M.; Wang W.; Zhang Q.; Liu Y. Journal: BMEMat Publisher: John Wiley and Sons Inc Publication Date: 30 July 2026 ISSN: 27517438 DOI: 10.1002/bmm2.70115 Scopus: View on Scopus Document Type: Article Access: All Open Access; Gold Open Access Authors and Affiliations Yessuf A.M., Key Laboratory of Advanced Functional Polymer Composites, College of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing, China; Zhang Y., Henan Provincial Orthopedic Hospital, Henan, Zhengzhou, China; Sharma B.P., Key Laboratory of Electrochemical Process and Technology of Materials, College of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing, China; Wang Y., Beijing University of Chinese Medicine, Beijing, China; Kassa T.S., Key Laboratory of Advanced Functional Polymer Composites, Col...
Read more

Holothuria arenicola Extract-Loaded Polycaprolactone Nanocapsules Attenuate Bile Duct Ligation-Induced Acute Liver Injury

Image
Bibliographic Information Authors: Mansour E.M.; Shemis M.; Fahmy S.R.; Amer M.A.; Mohamed A.S. Journal: Current Nanomedicine Publisher: Bentham Science Publishers Publication Date: September 2026 Volume / Issue: Volume 16 / Issue 5 Pages: 771–786 ISSN: 24681873 DOI: 10.2174/0124681873401484250924125945 Scopus: View on Scopus Document Type: Article Authors and Affiliations Mansour E.M., Department of Biochemistry and Molecular Biology, Theodor Bilharz Research Institute, Giza, Egypt; Shemis M., Department of Biochemistry and Molecular Biology, Theodor Bilharz Research Institute, Giza, Egypt; Fahmy S.R., Department of Zoology, Faculty of Science, Cairo University, Giza, Egypt; Amer M.A., Department of Zoology, Faculty of Science, Cairo University, Giza, Egypt; Mohamed A.S., Department of Zoology, Faculty of Science, Cairo University, Giza, Egypt Abstract Introduction: Cholestatic liver diseases are characterized by jaundice and cholestasis with various conseq...
Read more

Mytilus edulis-mediated green synthesis of selenium nanoparticles with antimicrobial and molluscicidal applications

Image
Bibliographic Information Authors: Dokmak H.-A.A.; AlSedawy M.; Ramadan M.A.; Amin B.H.; Faid A.H.; Abdelmaksoud H.F.; El-Sayed S.M. Journal: Scientific Reports Publisher: Nature Research Publication Date: 7 September 2026 Volume / Issue: Volume 16 / Issue 1 Article No.: 27918 ISSN: 20452322 DOI: 10.1038/s41598-026-65860-3 Scopus: View on Scopus PubMed: 42706305 Document Type: Article Access: All Open Access; Gold Open Access; Green Open Access Authors and Affiliations Dokmak H.-A.A., Department of Medical Malacology, Theodor Bilharz Research Institute, Giza, Egypt; AlSedawy M., Microbiology and Immunology Department, Faculty of Pharmacy (For Boys), Al-Azhar University, Cairo, Egypt; Ramadan M.A., Department of Laser Application in Metrology, Photochemistry and Agriculture, National Institute of Laser Enhanced Science (NILES) Cairo University (CU), Giza, Egypt; Amin B.H., The Regional Center for Mycology and Biotechnology, Al-Azhar University, Cairo, 11787,...
Read more

Microbial levan potentiates hepatic retention and antitumor activity of a PEGylated benzimidazole–curcumin nanocomplex through TLR2–FXR/FGF15-associated immunometabolic remodeling in experimental liver cancer

Image
Bibliographic Information Authors: Shawky H.; Ibrahim N.E.; Amer M.N.; Al-Ashmawy A.A.K.; Hammam O.A.; Fayed D.B.; Maghraby A.S. Journal: Scientific Reports Publisher: Nature Research Publication Date: 12 August 2026 Volume / Issue: Volume 16 / Issue 1 Article No.: 25094 ISSN: 20452322 DOI: 10.1038/s41598-026-64576-8 Scopus: View on Scopus PubMed: 42581056 Document Type: Article Access: All Open Access; Gold Open Access; Green Open Access Authors and Affiliations Shawky H., Therapeutic Chemistry Department, Pharmaceutical and Drug Industries Research Institute, National Research Centre, Dokki, Cairo, 12622, Egypt; Ibrahim N.E., Microbial Biotechnology Department, Biotechnology Research Institute, National Research Centre, Dokki, Cairo, 12622, Egypt; Amer M.N., Chemistry of Natural and Microbial Products Department, Pharmaceutical and Drug Industries Research Institute, National Research Centre, Dokki, Cairo, 12622, Egypt; Al-Ashmawy A.A.K., Therapeutic Chem...
Read more

Variable clinical presentations of pulmonary hydatid cysts: a four-case series from a single center in United Arab Emirates, non-endemic region

Image
Bibliographic Information Authors: Yehya M.; Abdallah M.F.H.; Ajeka S.; Al-Masalmeh F.H.; Albaghdadi M.O.J. Journal: Journal of Surgical Case Reports Publisher: Oxford University Press Publication Date: 29 July 2026 Volume / Issue: Volume 2026 / Issue 7 Article No.: rjag658 ISSN: 20428812 DOI: 10.1093/jscr/rjag658 Scopus: View on Scopus Document Type: Article Access: All Open Access; Gold Open Access; Green Open Access Authors and Affiliations Yehya M., Department of Thoracic Surgery, SAQR Hospital, Al Juwais Al Kadi St, Ras Al-Khaimah, United Arab Emirates; Abdallah M.F.H., Department of Radiology, SAQR Hospital, Al Juwais Al Kadi St, Ras Al-Khaimah, United Arab Emirates, Theodor Bilharz Research Institute, Mahad Al Abhas Al bahari St, Kornish Al Nile, Warraq Al Arab, Al Warak, Governorate, Giza, 3863341, Egypt; Ajeka S., Department of General Surgery, SAQR Hospital, Al Juwais Al Kadi St, Ras Al-Khaimah, United Arab Emirates; Al-Masalmeh F.H., Department of ...
Read more