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Publications

Thirty-seven peer-reviewed papers, twelve of them with Dr. Dung as first or corresponding author. The lab works mainly on histone deacetylase inhibitors and, more recently, on machine-learning models that predict which candidates are worth synthesising.

Every entry below was resolved from its DOI through a citation resolver and confirmed as published. Nothing on this page is typed by hand, and citation counts are recorded at build time.

Selected publications

  • Corresponding author 2026

    Benchmarking the Ligand–HER2 Interactions Using Machine Learning and Molecular Dynamics Simulations

    ACS Omega

    Duc Toan Truong, Quang Tung Dao, Thi Thuy Mai Tran, Ngoc Ha Nguyen, My-Kristyna Nguyen-Thao, Nguyen-Hai Nam, Thi Mai Dung Do, Minh Tho Nguyen

    10.1021/acsomega.5c10459

  • Corresponding author 2025

    Unveiling potent xanthine oxidase inhibitors in two Balanophora spp. using machine learning-based virtual screening and molecular docking approach

    Scientific Reports

    Nguyen Ngoc An, Dao Quang Tung, Le Van Tue, Nguyen Thanh Son, Nguyen Thanh Tung, Huong-Giang Le, Thai Chinh Tam, Nguyen Thị Thuan, Daniel Baecker, Do Thi Mai Dung

    10.1038/s41598-025-32282-6

    3 citations

  • Corresponding author 2024

    Design, synthesis and bioevaluation of novel N-heterocyclic hydroxamic acids as histone deacetylase inhibitors and their antitumor activity study

    New Journal of Chemistry

    Nguyen Quoc Thang, Nguyen Thi Nga, Ji Su Kim, Hwa Kyung Kim, Jiyeon Kim, Jong Soon Kang, Truong Thanh Tung, Do Thi Mai Dung, Duong Tien Anh, Sang-Bae Han, Nguyen-Hai Nam

    10.1039/d4nj03452j

    3 citations

  • First author 2022

    Design, synthesis, and evaluation of novel (E)‐ N ’‐(3‐allyl‐2‐hydroxy)benzylidene‐2‐(4‐oxoquinazolin‐3(4 H )‐yl)acetohydrazides as antitumor agents

    Archiv der Pharmazie

    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

    10.1002/ardp.202100216

    9 citations

  • First author 2022

    Design, synthesis and evaluation of novel 2-oxoindoline-based acetohydrazides as antitumor agents

    Scientific Reports

    Do T. M. Dung, Eun J. Park, Duong T. Anh, Dung T. P. Phan, Ik H. Na, Joo H. Kwon, Jong S. Kang, Truong T. Tung, Sang-Bae Han, Nguyen-Hai Nam

    10.1038/s41598-022-06887-0

    9 citations

  • First author 2022

    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

    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

    10.2174/1871520622666220118154914

    2 citations

All publications

Every entry resolved from its DOI. Names in bold mark Dr. Dung’s authorship.

  1. 2026
  2. Novel 2-mercaptoquinazolinone N-hydroxycinnamamides as histone deacetylase inhibitors: design, synthesis, and anticancer evaluation

    Bioorganic & Medicinal Chemistry Letters

    Le Thi Thao, Hwa Kyung Kim, Nguyen Phuong Ngan, Bui Quang Cuong, Dao Thi Kim Oanh, Do Thi Mai Dung, Da Hyeon Kang, Ha Young Kim, Eun Hye Song, Jong Soon Kang, Duong Tien Anh, Truong Thanh Tung, Sang-Bae Han, Nguyen-Hai Nam

  3. Imidazole-[1,5- a ]-Pyridines Can Occupy the EGFR Allostery with a Strong Polar Interaction

    ACS Omega

    Duc Toan Truong, Nguyen Minh Tam, Chinh Tam Thai, Thi Mai Dung Do, Chi M. Phan, Viet Bac T. Phung, Minh Tho Nguyen

  4. 2025
  5. Design, synthesis and biological evaluation of novel hydroxamic acid-derived histone deacetylase inhibitors bearing a 2-oxoindoline scaffold as potential antitumor agents

    Bioorganic & Medicinal Chemistry · 6 citations

    Tran Thi Lan Huong, Hwa Kyung Kim, Nguyen Duc Thien, Do Thi Mai Dung, Ji Su Kim, Jiyeon Kim, Jong Soon Kang, Dao Thi Kim Oanh, Truong Thanh Tung, Nguyen Quoc Thang, Duong Tien Anh, Sang-Bae Han, Nguyen-Hai Nam

  6. Molecular dynamics simulations reveal a strong binding capacity of colossolactone H to the EGFR inactive conformation

    Physical Chemistry Chemical Physics · 2 citations

    Duc Toan Truong, Kiet Ho, Chinh Tam Thai, Dung Do Thi Mai, Nguyen Minh Tam, Viet Bac T. Phung, Minh Tho Nguyen

  7. ỨNG DỤNG HỌC MÁY VÀ MÔ PHỎNG DOCKING TRONG SÀNG LỌC, THIẾT KẾ CÁC CHẤT ỨC CHẾ HDAC2 MỚI HƯỚNG ĐIỀU TRỊ UNG THƯ

    TNU Journal of Science and Technology · 1 citation

    Nguyễn Ngọc An, Đào Quang Tùng, Thái Chính Tâm, Nguyễn Thành Công, Phạm Thị Kim Anh, Phan Thị Phương Dung, Đỗ Thị Mai Dung

  8. Deciphering molecular insights of HDAC6 inhibition through SHAP-based interpretation of optimized machine learning models

    Tạp chí Nghiên cứu Dược và Thông tin Thuốc · Corresponding author

    Nguyen Thi Thuan, Nguyen Thao My – Kristýna, Le Thi Dung, Do Thi Mai Dung

  9. 2024
  10. Dimerization of the Aβ 42 under the Influence of the Gold Nanoparticle: A REMD Study

    The Journal of Physical Chemistry B · 4 citations

    Quynh Mai Thai, Nguyen Thanh Tung, Dung Do Thi Mai, Son Tung Ngo

  11. Harmonizing QSAR Machine Learning‐Based Models and Docking Approaches for Identifying Novel Histone Deacetylase 2 Inhibitors

    ChemistrySelect · 2 citations

    Dao Quang Tung, Do Thi Mai Dung, Nguyen Thanh Cong, Dao Ngoc Nam Hai, Daniel Baecker, Son Tung Ngo, Phan Thi Phuong Dung, Nguyen Thi Thuan, Nguyen Hai Nam, Nguyen Ngoc An

  12. Synthesis and evaluation of the acetylcholinesterase inhibitory effect of novel heteroaromatic derivatives bearing a 2-(5-(pyridin-2-yl)-1H-tetrazol-1-yl)acetamide scaffold

    Tạp chí Nghiên cứu Dược và Thông tin Thuốc · 1 citation

    Viet Hung Nguyen, Thien Bao Long Le, Manh Dung Dang, Linh Vu Ngoc Hai, Tiep K Nguyen, Van-Hai Hoang, Quyen Do, Dung Do Thi Mai, Son Tung Ngo, Phuong-Thao Tran

  13. In silico design, 2D-QSAR study, pharmacophore modeling and molecular docking of novel Glutaminyl Cyclase inhibitors

    Tạp chí Nghiên cứu Dược và Thông tin Thuốc · Corresponding author

    Cao-Minh Truong, Phuong-Thao Tran, Dung Do Thi Mai

  14. 2D-Qsar and molecular docking studies of hydroxamic acid derivatives bearing benzimidazole scaffold as histone deacetylase 6 inhibitors

    Tạp chí Nghiên cứu Dược và Thông tin Thuốc

    Quoc Thang Nguyen, Tien Anh Duong, Thi Mai Dung Do, Thanh Tung Truong, Hai Nam Nguyen

  15. Molecular dynamics simulation of histone deacetylase enzyme with zinc ion and application

    Tạp chí Nghiên cứu Dược và Thông tin Thuốc

    Nguyen Quoc Thang, Duong Tien Anh, Do Thi Mai Dung, Doan Nguyen Thanh Dat, Truong Thanh Tung, Nguyen Hai Nam

  16. 2023
  17. Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease

    Molecules · 19 citations

    Le-Quang Bao, Daniel Baecker, Do Thi Mai Dung, Nguyen Phuong Nhung, Nguyen Thi Thuan, Phuong Linh Nguyen, Phan Thi Phuong Dung, Tran Thi Lan Huong, Bakhtiyor Rasulev, Gerardo M. Casanola-Martin, Nguyen-Hai Nam, Hai Pham-The

  18. Novel ( E )-3-(1-substituted-1 H -indazol-5-yl)- N -hydroxypropenamides as histone deacetylase inhibitors: design, synthesis and structure–activity relationships

    New Journal of Chemistry · 6 citations

    Minh Sang Doan, Eun Jae Park, Duong Tien Anh, Do Thi Mai Dung, Le Quang-Bao, Pham-The Hai, Dao Thi Kim Oanh, Truong Thanh Tung, Ik Ho Na, Joo Hee Kwon, Jong Soon Kang, Sang-Bae Han, Dinh Thi Thanh Hai, Nguyen-Hai Nam

  19. Novel ( E )‐3‐(3‐Oxo‐4‐substituted‐3,4‐dihydro‐2 H ‐benzo[ b ][1,4]oxazin‐6‐yl)‐ N ‐hydroxypropenamides as Histone Deacetylase Inhibitors: Design, Synthesis and Bioevaluation

    Chemistry & Biodiversity · 1 citation

    Doan Minh Sang, Ik Ho Na, Duong Tien Anh, Do Thi Mai Dung, Nguyen Thi Thu Hang, Nguyen T. Phuong‐Anh, Pham‐The Hai, Dao Thi Kim Oanh, Truong Thanh Tung, Soo Jung Lee, Joo Hee Kwon, Jong Soon Kang, Sang‐Bae Han, Dinh Thi Thanh Hai, Nguyen‐Hai Nam

  20. 2021
  21. Novel 4-Oxoquinazoline-Based N -Hydroxypropenamides as Histone Deacetylase Inhibitors: Design, Synthesis, and Biological Evaluation

    ACS Omega · 17 citations

    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, Nguyen-Hai Nam

  22. 2020
  23. Exploration of certain 1,3-oxazole- and 1,3-thiazole-based hydroxamic acids as histone deacetylase inhibitors and antitumor agents

    Bioorganic Chemistry · 30 citations

    Duong Tien Anh, Pham-The Hai, Le-Thi-Thu Huong, Eun Jae Park, Hye Won Jun, Jong Soon Kang, Joo-Hee Kwon, Do Thi Mai Dung, Vu Tran Anh, Van Thi My Hue, Sang-Bae Han, Nguyen-Hai Nam

  24. Design, synthesis, and bioevaluation of novel oxoindolin-2-one derivatives incorporating 1-benzyl-1H-1,2,3-triazole

    Medicinal Chemistry Research · 23 citations

    Ta Thu Lan, Duong Tien Anh, Pham-The Hai, Do Thi Mai Dung, Le Thi Thu Huong, Eun Jae Park, Hye Won Jeon, Jong Soon Kang, Nguyen Thi Thuan, Sang-Bae Han, Nguyen-Hai Nam

  25. Design, synthesis and evaluation of novel indirubin-based N-hydroxybenzamides, N-hydroxypropenamides and N-hydroxyheptanamides as histone deacetylase inhibitors and antitumor agents

    Bioorganic & Medicinal Chemistry Letters · 23 citations

    Duong Tien Anh, Pham-The Hai, Do Thi Mai Dung, Phan Thi Phuong Dung, Le-Thi-Thu Huong, Eun Jae Park, Hye Won Jun, Jong Soon Kang, Joo-Hee Kwon, Truong Thanh Tung, Sang-Bae Han, Nguyen-Hai Nam

  26. Design, Synthesis and Bioevaluation of Two Series of 3‐[(1‐Benzyl‐1 H ‐1,2,3‐triazol‐4‐yl)methyl]quinazolin‐4(3 H )‐ones and N ‐(1‐Benzylpiperidin‐4‐yl)quinazolin‐4‐amines

    Chemistry & Biodiversity · 9 citations

    Ta Thu Lan, Duong Tien Anh, Hai Pham‐The, Do Thi Mai Dung, Eun Jae Park, Sun Dong Jang, Joo Hee Kwon, Jong Soon Kang, Nguyen Thi Thuan, Sang‐Bae Han, Nguyen‐Hai Nam

  27. Design, synthesis, and evaluation of novel N’ -substituted-1-(4-chlorobenzyl)-1 H -indol-3-carbohydrazides as antitumor agents

    Journal of Enzyme Inhibition and Medicinal Chemistry · 1 citation

    Le Cong Huan, Duong Tien Anh, Pham-The Hai, Lai Duc Anh, Eun Jae Park, A Young Ji, Jong Soon Kang, Do Thi Mai Dung, Dao Thi Kim Oanh, Truong Thanh Tung, Dinh Thi Thanh Hai, Sang-Bae Han, Nguyen-Hai Nam

  28. 2018
  29. Novel hydroxamic acids incorporating 1-((1H-1,2,3-Triazol-4-yl)methyl)-3-hydroxyimino-indolin-2-ones: synthesis, biological evaluation, and SAR analysis

    Journal of Chemical Sciences · First author · 10 citations

    Do Thi Mai Dung, Pham-The Hai, Duong Tien Anh, Le-Thi-Thu Huong, Nguyen Thi Kim Yen, Byung Woo Han, Eun Jae Park, Yeo Jin Choi, Jong Soon Kang, Van-Thi-My Hue, Sang-Bae Han, Nguyen-Hai Nam

  30. Novel Hydroxamic Acids Incorporating 1-((1H-1,2,3-Triazol-4-yl)methyl)- 3-substituted-2-oxoindolines: Synthesis, Biological Evaluation and SAR Analysis

    Medicinal Chemistry · First author · 10 citations

    Do T.M. Dung, Nguyen V. Huan, Do M. Cam, Dao C. Hieu, Pham-The Hai, Le-Thi-Thu Huong, Jisung Kim, Jeong E. Choi, Jong S. Kang, Sang-Bae Han, Nguyen-Hai Nam

  31. 2017
  32. Novel N -hydroxybenzamides incorporating 2-oxoindoline with unexpected potent histone deacetylase inhibitory effects and antitumor cytotoxicity

    Bioorganic Chemistry · 24 citations

    Tran-Thi-Lan Huong, Do-Thi-Mai Dung, Nguyen-Van Huan, Le-Van Cuong, Pham-The Hai, Le-Thi-Thu Huong, Jisung Kim, Yong-Guk Kim, Sang-Bae Han, Nguyen-Hai Nam

  33. Exploration of novel 5′(7′)-substituted-2′-oxospiro[1,3]dioxolane-2,3′-indoline-based N -hydroxypropenamides as histone deacetylase inhibitors and antitumor agents

    Arabian Journal of Chemistry · First author · 12 citations

    Do Thi Mai Dung, Phan Thi Phuong Dung, Dao Thi Kim Oanh, Tran Khac Vu, Hyunggu Hahn, Byung Woo Han, Minji Pyo, Young Guk Kim, Sang-Bae Han, Nguyen-Hai Nam

  34. 2015
  35. Novel 3-substituted-2-oxoindoline-based N-hydroxypropenamides as Histone Deacetylase Inhibitors and Antitumor Agents

    Medicinal Chemistry · First author · 24 citations

    Do Dung, Phan Dung, Dao Oanh, Pham Hai, Le Huong, Vu Loi, Hyunggu Hahn, Byung Han, Jisung Kim, Sang-Bae Han, Nguyen-Hai Nam

  36. Novel 2-oxoindoline-based hydroxamic acids: synthesis, cytotoxicity, and inhibition of histone deacetylation

    Tetrahedron Letters · 18 citations

    Tran Thi Lan Huong, Do Thi Mai Dung, Phan Thi Phuong Dung, Phung Thanh Huong, Tran Khac Vu, Hyunggu Hahn, Byung Woo Han, Jisung Kim, Minji Pyo, Sang-Bae Han, Nguyen-Hai Nam

  37. 5-Aryl-1,3,4-Thiadiazole-Based Hydroxamic Acids as Histone Deacetylase Inhibitors and Antitumor Agents: Synthesis, Bioevaluation and Docking Study

    Medicinal Chemistry · 6 citations

    Tran Huong, Do Dung, Dao Oanh, Tran Lan, Phan Dung, Vu Duc Loi, Kyung Kim, Byung Han, Jieun Yun, Jong Kang, Youngsoo Kim, Sang-Bae Han, Nguyen-Hai Nam

  38. Synthesis and bioevaluation of new 5-benzylidenethiazolidine-2,4-diones bearing benzenesulfonamide moiety

    Medicinal Chemistry Research · 6 citations

    Nguyen Thi Thuan, Do Thi Mai Dung, Do Nguyet Que, Phan Thi Phuong Dung, Tran Khac Vu, Hyunggu Hahn, Byung Woo Han, Youngsoo Kim, Sang-Bae Han, Nguyen-Hai Nam

  39. 2014
  40. Synthesis, bioevaluation and docking study of 5-substitutedphenyl-1,3,4-thiadiazole-based hydroxamic acids as histone deacetylase inhibitors and antitumor agents

    Journal of Enzyme Inhibition and Medicinal Chemistry · 34 citations

    Nguyen-Hai Nam, Tran Lan Huong, Do Thi Mai Dung, Phan Thi Phuong Dung, Dao Thi Kim Oanh, Sang Ho Park, Kyungrok Kim, Byung Woo Han, Jieun Yun, Jong Soon Kang, Youngsoo Kim, Sang-Bae Han

  41. 2013
  42. Novel isatin-based hydroxamic acids as histone deacetylase inhibitors and antitumor agents

    European Journal of Medicinal Chemistry · 53 citations

    Nguyen-Hai Nam, Tran Lan Huong, Do Thi Mai Dung, Phan Thi Phuong Dung, Dao Thi Kim Oanh, Do Quyen, Le Thi Thao, Sang Ho Park, Kyung Rok Kim, Byung Woo Han, Jieun Yun, Jong Soon Kang, Youngsoo Kim, Sang-Bae Han

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    Unit of Computation and AI Application Research · Faculty of Pharmaceutical Chemistry and Technology · Hanoi University of Pharmacy · Hà Nội, Việt Nam