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Book Chapters
Gerardo M. Casañola-Martin, Hai Pham-The. Machine Learning Applications in Nanomedicine and Nanotoxicology: An Overview. In: Research Anthology on Machine Learning Techniques, Methods, and Applications. Edited by: Mehdi Khosrow-Pour. 5/2022. Chapter 3. IGI Global, ISBN13: 9781668462911, pp. 38-46.

Article(s) in WoS/SCOPUS-covered journals

  1. Ahmed F Essa, Rania F Ahmed, Zeinab A El-Gendy, Ninh The Son, Hai Pham The, Abd El-Nasser G El Gendy, Ahmed M Abd-ElGawad, Yusuke Kasai, Hiroshi Imagawa, Abdelsamed I Elshamy. Multitarget Antioxidant and Anticancer Potential of Euphorbia greenwayi Essential Oil: Phytochemical Profiling and Molecular Insights. Chemistry & Biodiversity, 2026 31(4):630. https://doi.org/10.1002/cbdv.202501894
  2. Ha Thanh Nguyen, Quoc Khanh Bach, Quoc Nhat Nguyen, Van Nam Nguyen, Thi Van Anh Nguyen, Hai Pham-The. Survival predictors in Vietnamese elderly AML patients treated with decitabine: Real-world evidence from a low- and middle-income country. Leukemia Research Reports, 2026 25, 100565. https://doi.org/10.1016/j.lrr.2026.100565
  3. Hong Luyen Le, Hai Pham The, Long Vu Dao, Thi Van Anh Nguyen, Thanh Huong Le. Chemical Composition, Antithrombotic and Anti‐Inflammatory Effects of the Essential Oil From Two Black Ginger Species in Vietnam. Flavour and Fragrance Journal, 2026 41(2) 387-401. https://doi.org/10.1002/ffj.70053
  4. Tran Duy Thanh, Vu Xuan Thach, Luu Van Chinh, Dinh Thi Phuong Anh, Do Thi Thao, Duong Quang Quy, Hai Pham-The and Tran Khac Vu. Design, Synthesis, and Biological Evaluation of Novel 7-Hydroxycoumarin- Based N-Hydroxyamides as Histone Deacetylase Inhibitors and Cytotoxic Agents. Medicinal Chemistry, 2025 21. https://doi.org/10.2174/0115734064402162251011065534.
  5. Le Thanh Huong, Vu Duong Bach, Pham The Hai, Vu Mai Thao, Nguyen Xuan Nhiem and Nguyen Hai Dang. Cycloartane-type saponins from Curculigo orchioides and their anti-inflammatory activity. RSC Advances, 2025, 15: 41340-41350. https://doi.org/10.1039/D5RA04849D.
  6. Tran Thu Trang, Ta Thi Minh Huyen, Vu Thi Tien, To Minh Nhat, Vu Thanh Loc, Tran Thu Huong, Nguyen Xuan Ha, Hai Pham-The, Nguyen Manh Cuong, Nguyen Trung Nam. Ostruthin Targets IL-6 and Downregulates Arid5a Expression to Inhibit Cytokine Production Under TLR3-TLR4 Cotriggering: In vitro and in silico Studies. Natural Product Communications, 2025, 20(10): 1-10. https://doi.org/10.1177/1934578X251385033.
  7. Ha Thanh Nguyen, Ha Nguyen Van, Hai Pham-The, Ket Tran Van, Dao Long Vu, Tuyet Anh Dang Thi, Giang Le-Nhat-Thuy, Quynh Giang Nguyen Thi, Phuong Hoang Thi, Tuan Anh Nguyen, Mai Dang Thi, Julien Braire, Tuyen Nguyen Van. Synthesis, Molecular Docking Analysis, and In Vitro Cytotoxic Evaluation of New Fluorinated γ-Butyrolactone-Aza-Anthraquinone Compounds. Chemistry & Biodiversity, 11 September 2025 22(12) e02030. https://doi.org/10.1002/cbdv.202502030
  8. Ahmed M. Abd-ElGawad, Asmaa S. Abd Elkarim, Ninh The Son, Hai Pham-The, Abd El-Nasser G. El Gendy, Hiroshi Imagawa, Abdelsamed I. Elshamy. Chemical Composition and Bioherbicidal Properties of Teucrium oliverianum Ging. Ex Benth Essential Oil: Insights From Chemometric Analysis, Molecular Docking Studies, and ADME-Tox Predictions. Flavour and Fragrance Journal, 2025 40(6) 1041-1057. https://doi.org/10.1002/ffj.70002.
  9. Vu Thanh Loc, Tsolmon Bolor, Erdenetsogt Purevdorj, Amgalan Solongo, Nguyen Xuan Ha, Tran Thu Huong, Pham Ngoc Khanh, Do Thi Thao, Hai Pham-The, Nguyen Manh Cuong. Therapeutic effects of Chrysanthemum zawadzkii and its active compound eupatilin in rheumatoid arthritis: in silico and in vitro validation. Natural Product Research, 2025 May 22:1-8. doi: https://doi.org/10.1080/14786419.2025.2508835.
  10. Tserendorj Solongo, Tran Thu Huong, Erdenetsogt Purevdorj, Amgalan Solongo, Battsagaan Bayasgalan, Vu Thanh Loc, Nguyen Xuan Ha, Vu Thi Ha, Nguyen Phi Hung, Do Thi Thao, Nguyen Thi Nga, Hai Pham-The, Pauline Stark, Nguyen Manh Cuong. Leptomonines A and B, two novel rare benzyltetrahydroisoquinoline N-oxides from the aerial parts of Leptopyrum fumarioides as potential COX-2 inhibitors: in vitro and in silico studies. Journal of Natural Medicines 03/2025, doi: https://doi.org/10.1007/s11418-025-01882-x
  11. Ha Thanh Nguyen, Ket Tran Van, Hai Pham-The, Quang-Bao Le, Giang Le-Nhat-Thuy, Tuyet Anh Dang Thi, Phuong Hoang Thi, Quynh Giang Nguyen Thi, Anh Nguyen Tuan, Doan Vu Ngoc and Tuyen Van Nguyen. Synthesis, cytotoxicity, apoptosis-inducing activity and molecular docking studies of novel isatin–podophyllotoxin hybrids. RSC Advances 01/2025, 15, 2825-2839. Doi: https://doi.org/10.1039/D4RA08691K.
  12. Tran Duy Thanh, Vu Xuan Thach, Ho Duc Cuong, Luu Van Chinh, Nguyen Trung Dung, Do Thi Thao, Duong Quang Quy, Hai-Pham The, Tran Khac Vu. Novel N-Hydroxyheptanamides Incorporating 7-Hydroxy-2-Oxo-2H-Chromene-3-Carboxamides as Histone Deacetylase Inhibitors and Cytotoxic Agents: Design, Synthesis, and Biological Evaluation. ChemistrySelect 01/2025, 10(1) e202405219. https://doi.org/10.1002/slct.202405219.
  13. Elizaveta Fefilova, Yulia Kirdeeva, Sergey Parfenyev, Alexandra Daks, Olga Fedorova, Margarita Sorokina, Nguyen Xuan Ha, Tran Thu Huong, Vu Thanh Loc, Pham The Hai, Nguyen Manh Cuong, Nickolai Barlev, Oleg Shuvalov. MDM2 up-regulates the energy metabolism in NSCLC in a p53-independent manner. Biochemical and Biophysical Research Communications 12/2024, 151169. Doi: https://doi.org/10.1016/j.bbrc.2024.151169.
  14. Ngoc Hung Truong, Phi Hung Nguyen, Huu Nghi Do, Xuan Ha Nguyen, Thanh Loc Vu, The Hai Pham, Hanh Trang Luu, Manh Cuong Nguyen, Van Chinh Luu. Synthesis and Cytotoxic Activities of Novel Ether Conjugates of Dihydroartemisinin and Zerumbone: Evidenced by Integrating Network Pharmacology and In Vitro Assay. Chemistry and Biodiversity 11/2024 e202401571. Doi: https://doi.org/10.1002/cbdv.202401571.
  15. Gerardo M. Casanola-Martin, Anas Karuth, Hai Pham-The, Humbert González-Díaz, Dean C. Webster & Bakhtiyor Rasulev. Machine learning analysis of a large set of homopolymers to predict glass transition temperatures. Communications Chemistry 10/2024. 7, 226. Doi: https://doi.org/10.1038/s42004-024-01305-0.
  16. Nguyen Thanh Tung, Nguyen Khac Tiep, Do Thu Ha, Duong Quang Quy, Nguyen Quoc Binh, Pham The Hai, Oleh Koshovyi, Ain Raal. Essential oils from Conamomum rubidum: The phytochemical, microbiological, and molecular docking study. Indian Journal of Natural Products and Resources (IJNPR) 09/2024. 15(3):391-401. Doi: https://doi.org/10.56042/ijnpr.v15i3.8431.
  17. Thi Thu Phuong Tran, Nguyen Hai Dang, Xuan Nhiem Nguyen, Hai Pham-The, Uyen Thi Tu Phan, Thanh Huong Le. Alkaloids from Piper longum L and Their Anti-inflammatory Properties. Chemistry and Biodiversity 08/2024. Vol 21, No. 12. e202401224. Doi: https://doi.org/10.1002/cbdv.202401224.
  18. Priyanka Ray, Abbas Sedigh, Matthew Confeld, Lina Alhalhooly, Kweeni Iduoku, Gerardo M. Casanola-Martin, Hai Pham-The, Bakhtiyor Rasulev, Yongki Choi, Zhongyu Yang, Sanku Mallik and Mohiuddin Quadir. Design and evaluation of nanoscale materials with programmed responsivity towards epigenetic enzymes. Journal of Materials Chemistry B 07/2024. 12, 9905-9920. Doi: https://doi.org/10.1039/D4TB00514G.
  19. Nguyen Xuan Ha, Tran Thu Huong, Pham Ngoc Khanh, Nguyen Phi Hung, Vu Thanh Loc, Vu Thi Ha, Dang Thu Quynh, Do Huu Nghi, Pham The Hai, Christopher J Scarlett, Ludger A Wessjohann, Nguyen Manh Cuong. In Vitro and In Silico Study of New Biscoumarin Glycosides from Paramignya trimera against Angiotensin-Converting Enzyme 2 (ACE-2) for Preventing SARS-CoV-2 Infection. Chemical and Pharmaceutical Bulletin (Tokyo) 06/2024; 72(6):574-583. Doi: https://doi.org/10.1248/cpb.c23-00844.
  20. Ha Thanh Nguyen, Hai Pham-The, Anh Nguyen Tuan, Ha Nguyen Thi Thu, Tuyet Anh Dang Thi, Giang Le-Nhat-Thuy, Phuong Hoang Thi, Quynh Giang Nguyen Thi, Tuyen Van Nguyen. Improved synthesis, molecular modeling and anti-inflammatory activity of new fluorinated dihydrofurano-naphthoquinone compounds. Bioorganic & Medicinal Chemistry Letters 05/2024, 104: 129714. Doi: https://doi.org/10.1016/j.bmcl.2024.129714.
  21. Ha Thanh Nguyen, Ket Tran Van, Hai Pham-The, Julien Braire, Phuong Hoang Thi, Tuan Anh Nguyen, Quynh Giang Nguyen Thi, Tuyet Anh Dang Thi, Giang Le-Nhat-Thuy, Tu Anh Le Thi, Doan Vu Ngoc and Tuyen Nguyen Van. Synthesis, molecular docking analysis and in vitro evaluation of new heterocyclic hybrids of 4-aza-podophyllotoxin as potent cytotoxic agents. RSC Advances 01/2024; 14: 1838-1853. Doi: https://doi.org/10.1039/D3RA07396C.
  22. Phan Thi Diem-Tran,Tue-Tam Ho, Nguyen-Van Tuan, Le-Quang Bao, Ha Tran Phuong, Trinh Thi Giao Chau, Hoang Thi Binh Minh, Cong-Truong Nguyen, Zulayho Smanova, Gerardo M. Casanola-Martin, Bakhtiyor Rasulev, Hai Pham-The*, and Le Canh Viet Cuong. Stability Constant and Potentiometric Sensitivity of Heavy Metal–Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel Coumarin-like Ligands. Toxics 07/2023; 11(7): 595. Doi: https://doi.org/10.3390/toxics11070595
  23. Nguyen Thi Van Anh, Pham The Hai. Screening Bioactive Compounds from Vietnamese Medicinal Plants as Inhibitors of CCR5 and CXCR4 Co-receptors to Prevent and Treat HIV-1 Infection by Molecular Docking Methods. VNU Journal of Science Medical and Pharmaceutical Sciences 06/2024; 40(2): 41-48. Doi: https://doi.org/10.25073/2588-1132/vnumps.4589.
  24. Le Thi Huong, Nguyen Thi Chung, Dau Xuan Duc, Do Ngoc Dai, Pham-The Hai, Ninh The Son. Essential oil of Syzygium boisianum (Gagnep.) Merr. & L.M.Perry: Chemical compositions, antimicrobial activity, and molecular docking. Vietnam Journal of Chemistry 06/2023; 61(3): 333-338. Doi: https://doi.org/10.1002/vjch.202200161.
  25. Le-Quang Bao, Daniel Baecker, DTM Dung, NP Nhung, NT Thuan, PL Nguyen, PTP Dung, TTL Huong, Bakhtiyor Rasulev, Gerardo M Casanola-Martin, Nguyen-Hai Nam, Hai Pham-The*. Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease. Molecules 04/2023; 28(8): 3588. doi: https://doi.org/10.3390/molecules28083588.
  26. Nguyen Phuong Nhung, KT Kieu Oanh, Tran Dinh Nghia, Hai Pham-The. Prediction of Cytotoxicity Against HepG2 by Quantitative Structure-Activity Relation (QSAR) Modelling. Trends in Sciences 02/2023; 20(7): 5388. doi: https://doi.org/10.48048/tis.2023.5388.
  27. ND Luyen, LM Huong, NTT Ha, NT Tra, LTT Anh, NV Tuyen, Katalin Posta, NT Son, Hai Pham-The*. Chemical Profile and Biological Activities of Fungal Strains Isolated from Piper nigrum Roots: Experimental and Computational Approaches. Chemistry & Biodiversity 02/2023; 20(2): e202200456. doi: https://doi.org/10.1002/cbdv.202200456.
  28. MS Doan, EJ Park, DT Anh, Do Thi Mai Dung, L Quang-Bao, Hai Pham-The, DTK Oanh, TT Tung, IH Na, JH Kwon, JS Kang, S-B Han, DTT Hai, Nguyen Hai-Nam. Novel (E)-3-(1-substituted-1H-indazol-5-yl)-N-hydroxypropenamides as histone deacetylase inhibitors: design, synthesis and structure–activity relationships. New Journal of Chemistry 01/2023; 47: 4478-4490. doi: https://doi.org/10.1039/D2NJ04894A.
  29. Daniel Baecker, Do Thi Mai Dung, Hai Pham-The, Nguyen Hai-Nam. Comparison of the University Pharmacy Education Programs in Germany and Vietnam. Pharmacy (Basel) 11/2022; 10(6): 146. doi: https://doi.org/10.3390/pharmacy10060146.
  30. HT Nguyen, QG Nguyen Thi, TH Nguyen Thi, PH Thi, G Le-Nhat-Thuy, TA Dang Thi, B Le-Quang, Hai Pham-The, Tuyen Nguyen Van. Synthesis and biological activity, and molecular modelling studies of potent cytotoxic podophyllotoxin-naphthoquinone compounds. RSC Advances 08/2022; 12: 22004-22019. doi: https://doi.org/10.1039/D2RA03312G.
  31. Juan A Castillo-Garit, Yudith Cañizares-Carmenate, Hai Pham-The, Virginia Pérez-Doñate, Francisco Torrens, Facundo Pérez-Giménez. A Review of Computational Approaches Targeting SARS-CoV-2 Main Protease to the Discovery of New Potential Antiviral Compounds. Current Topics in Medicinal Chemistry 01/2023; 23(1): 3-16. doi: https://doi.org/10.2174/2667387816666220426133555.
  32. S Ninh The, A Le Tuan, T Dinh Thi Thu, L Nguyen Dinh, T Tran Thi, Hai Pham-The*. Essential oils of Uvaria boniana – chemical composition, in vitro bioactivity, docking, and in silico ADMET profiling of selective major compounds. Zeitschrift fur Naturforschung C 03/2022; 77(5-6): 207-218. https://doi.org/10.1515/znc-2021-0111.
  33. Y Cañizares-Carmenate, N-H Nam, R Díaz-Amador, NT Thuan, PTP Dung, F Torrens, Hai Pham-The, F Perez-Gimenez, J A Castillo-Garit. Ligand-based discovery of new potential acetylcholinesterase inhibitors for Alzheimer’s disease treatment. SAR and QSAR in Environmental Research 01/2022; 33(1): 49-61. https://doi.org/10.1080/1062936X.2022.2025615.
  34. Do Thi Mai Dung, Eun Jae Park, Duong Tien Anh, Pham-The Hai, Le Quang Bao, A Young Ji, Jong Soon Kang, Truong Thanh Tung, Sang-Bae Han, Nguyen-Hai Nam. Design, Synthesis and Evaluation of Novel (E)-N’-((1-(4-chlorobenzyl)-1H-indol-3-yl)methylene)-2-(4-oxoquinazolin-3(4H)-yl)acetohydrazides as Antitumor Agents. Anti-Cancer Agents in Medicinal Chemistry 01/2022; 22(14): 2586-2598. https://doi.org/10.2174/1871520622666220118154914.
  35. Do T M Dung, Eun J Park, Duong T Anh, Pham-The Hai, Le D Huy, Hye W Jun, Joo-Hee Kwon, A Young Ji, Jong S Kang, Truong T Tung, Phan T P Dung, Sang-Bae Han, Nguyen-Hai Nam. Design, synthesis, and evaluation of novel (E)-N’-(3-allyl-2-hydroxy)benzylidene-2-(4-oxoquinazolin-3(4H)-yl)acetohydrazides as antitumor agents. Archiv der Pharmazie 10/2021; 355(1): e2100216. https://doi.org/10.1002/ardp.202100216.
  36. Duong T. Anh, Pham-The Hai, Le D. Huy, Hoang B. Ngoc, Trinh T. M. Ngoc, Do T. M. Dung, Eun J. Park, In K. Song, Jong S. Kang, Joo-Hee Kwon, Truong T. Tung, Sang-Bae Han, and Nguyen-Hai Nam. Novel 4-Oxoquinazoline-Based N -Hydroxypropenamides as Histone Deacetylase Inhibitors: Design, Synthesis, and Biological Evaluation. ACS Omega 02/2021; 6(7): 4907–4920. https://doi.org/10.1021/acsomega.0c05870.
  37. J.A. Castillo-Garit, S.J. Barigye, Hai Pham-the, V. Pérez-Doñate, F. Torrens &F. Pérez-Giménez. Computational identification of chemical compounds with potential anti-Chagas activity using a classification tree. SAR and QSAR in Environmental Research 01/2021; 32(1): 71-83. https://doi.org/10.1080/1062936X.2020.1863857.

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