Tan Thanh Mai

A new triterpenoid pentaglycoside from Olax imbricata: isolation and in vitro, in silico studies on α-glucosidase

Nham-Linh Nguyen, Thi Trang Nguyen, Thanh Tan Mai, Minh Hao Hoang, Thi Anh Tuyet Nguyen, Nguyen Kim Tuyen Pham, and Thi Nga Vo

Natural Product Research. 2025; 1-11. DOI: 10.1080/14786419.2025.2565705.

Carbamoyl flavonoids as dual inhibitors of acetylcholinesterase and monoacylglycerol lipase: synthesis, in vitro evaluation, and computational studies

The-Huan Tran, Thai-Son Tran, Minh-Hieu Nguyen, Thi-Trang Pham, Thanh-Tan Mai, and Thanh-Dao Tran

Medicinal Chemistry Research. 2025; 34:1544-1556. DOI: 10.1007/s00044-025-03420-6.

Integrating synthesis, enzyme inhibition and in silico studies: Carbamoyl luteolin derivatives targeting Alzheimer’s disease

The-Huan Tran, Thi-My-Hanh Nguyen, Thi-Cam-Nhung Cao, Thai-Son Tran, Thanh-Tan Mai, and Thanh-Dao Tran

Journal of the Chinese Chemical Society. 2025; 72(6):739. DOI: 10.1002/jccs.70026.

2-Amino-4,6-diarylpyrimidines as potential chronic myeloid leukemia cell inhibitors targeting anti-ABL1 kinase: microwave-assisted synthesis, biological evaluation, molecular docking, and dynamics studies

Thi-Anh-Truc Phan, Kim-Khanh-Huy Ngo, Thi-Cam-Thu Nguyen, Thanh-Tan Mai, Hai-Dang Nguyen, Thu-Trang Duong, Le-Phu Tran, Thanh-Tuyen Duong, Thi-Kim-Chi Huynh, Elena V. Koroleva, Zhanna V. Ignatovich, Anastasiya L. Ermolinskaya, Hoang-Phuc Nguyen, Thi-Hong-An Nguyen, Anh-Khoa Ton, Tuong-Ha Do, and Thi-Kim-Dung Hoang

RSC Advances. 2025; 15:4458-4471. DOI: 10.1039/D4RA08330J.

Achievements and Approaches in the Search for Small-Molecule Dengue NS2B/NS3 Inhibitors

Khac-Minh Thai, Cuong Quoc Duong, Tan Thanh Mai, Minh-Tri Le, Van-Thanh Tran, Phuoc-Vinh Nguyen, and Lam-Truong Tuong

Current Medicinal Chemistry. 2025. DOI: 10.2174/0109298673343582241229131338.

Binding ability of Delta and Omicron towards the angiotensin-converting enzyme 2 receptor and antibodies: a computational study

Quoc-Thai Nguyen, Tan Thanh Mai, Lam-Truong Tuong, Thi-Thao-Nhung Nguyen, Thanh-Phuong Vo, Dac-Nhan Nguyen, Cong-Thanh Phan-Van, Dieu-Thuong Thi Trinh, Van-Thanh Tran, and Khac-Minh Thai

Journal of Biomolecular Structure and Dynamics. 2025. DOI: 10.1080/07391102.2024.2446659.

Synthesis and Evaluation of Antibacterial and Antifungal Activities In vitro and In silico of Novel Morpholinoalkoxychalcones

Hoang Minh Phan, Tan Thanh Mai, Thinh Nguyen Quang Don, Dat Thanh Do, Khac Minh Thai, Thanh Dao Tran, Phuong Truong, and Phuong Nguyen Hoai Huynh

Medicinal Chemistry. 2025; 21(1):61-68. DOI: 10.2174/0115734064316022240801093905.

Toward Unveiling Putative Binding Sites of Interleukin-33: Insights from Mixed-Solvent Molecular Dynamics Simulations of the Interleukin-1 Family

Tan Thanh Mai, Thua-Phong Lam, Long-Hung Dinh Pham, Kim-Hung Nguyen, Quoc-Thai Nguyen, Minh-Tri Le, and Khac-Minh Thai

The Journal of Physical Chemistry B. 2024; 128(35):8362-8375. DOI: 10.1021/acs.jpcb.4c03057.

Inhibition of Pancreatic Lipase by Flavonoid Derivatives: In Vitro and In Silico Investigations

The-Huan Tran, Thanh-Tan Mai, Thi-Thu-Trang Ho, Thi-Ngoc-Dung Le, Thi-Cam-Nhung Cao, Khac-Minh Thai, and Thai-Son Tran

Advances in Pharmacological and Pharmaceutical Sciences. 2024; 2024:6655996. DOI: 10.1155/2024/6655996.

Flavonoids as dual‑target inhibitors against α‑glucosidase and α‑amylase: a systematic review of in vitro studies

Thua‑Phong Lam, Ngoc‑Vi Nguyen Tran, Long‑Hung Dinh Pham, Nghia Vo‑Trong Lai, Bao‑Tran Ngoc Dang, Ngoc‑Lam Nguyen Truong, Song‑Ky Nguyen‑Vo, Thuy‑Linh Hoang, Tan Thanh Mai, and Thanh‑Dao Tran

Natural Products and Bioprospecting. 2024; 14(4). DOI: 10.1007/s13659-023-00424-w.

Discovery of novel flavonoid derivatives as potential dual inhibitors against α‑glucosidase and α‑amylase: virtual screening, synthesis, and biological evaluation

Tan Thanh Mai, Minh‑Hoang Phan, Thao Thi Thai, Thua‑Phong Lam, Nghia Vo‑Trong Lai, Thanh‑Thao Nguyen, Thuy‑Viet‑Phuong Nguyen, Cam‑Van Thi Vo, Khac‑Minh Thai, and Thanh‑Dao Tran

Molecular Diversity. 2024; 28:1629-1650. DOI: 10.1007/s11030-023-10680-0.

Sesquiterpenoids from the rhizomes of Homalomena pendula (Blume) Bakh.f showing acetylcholinesterase inhibitory activity: in vitro and in silico studies

Linh Thuy Khanh Nguyen, Phu Quynh Dinh Nguyen, Chau Bao Hoai Nguyen, Hoai Thi Nguyen, Thi Van Anh Tran, Thanh‑Tan Mai, Thai‑Son Tran, and Duc Viet Ho

Chemical Papers. 2023; 77(3):1573-1581. DOI: 10.1007/s11696-022-02573-7.

Identification of Diosmin and Flavin Adenine Dinucleotide as Repurposing Treatments for Monkeypox Virus: A Computational Study

Thua-Phong Lam, Viet-Hung Tran, Tan Thanh Mai, Nghia Vo-Trong Lai, Bao-Tran Ngoc Dang, Minh-Tri Le, Thanh-Dao Tran, Dieu-Thuong Thi Trinh, and Khac-Minh Thai

International Journal of Molecular Sciences. 2022; 23(19):11570. DOI: 10.3390/ijms231911570.

Exploration of chalcones as 3‑chymotrypsin‑like protease (3CL^pro) inhibitors of SARS‑CoV‑2 using computational approaches

Thua‑Phong Lam, Dac‑Nhan Nguyen, Tan Thanh Mai, Thanh‑Dao Tran, Minh‑Tri Le, Phuong Nguyen Hoai Huynh, Duc‑Tuan Nguyen, Viet‑Hung Tran, Dieu‑Thuong Thi Trinh, Phuong Truong, Cam‑Van T. Vo, and Khac‑Minh Thai

Structural Chemistry. 2022; 33(5):1707-1725. DOI: 10.1007/s11224-022-02000-3.

Structure-based 3D-pharmacophore modeling to discover novel Interleukin 6 inhibitors: an in silico screening, molecular dynamics simulations and binding free energy calculations

Que-Huong Tran, Quoc-Thai Nguyen, Nguyen-Quynh-Huong Vo, Tan Thanh Mai, Thi-Thuy-Nga Tran, Thanh-Dao Tran, Minh-Tri Le, Dieu-Thuong Thi Trinh, and Khac-Minh Thai

PLOS One. 2022; 17(4):e0266632. DOI: 10.1371/journal.pone.0266632.

Chalcone derivatives as potential inhibitors of P-glycoprotein and NorA: an in silico and in vitro study

Minh-Tri Le, Dieu-Thuong Thi Trinh, Trieu-Du Ngo, Viet-Khoa Tran-Nguyen, Dac-Nhan Nguyen, Tung Hoang, Hoang-Minh Nguyen, Tran-Giang-Son Do, Thanh-Tan Mai, Thanh-Dao Tran, and Khac-Minh Thai

BioMed Research International. 2022; 2022:9982453. DOI: 10.1155/2022/9982453.

Discovery of small molecular inhibitors for interleukin‑33/ST2 protein–protein interaction: a virtual screening, molecular dynamics simulations and binding free energy calculations

Tan Thanh Mai, Phuc Gia Nguyen, Minh‑Tri Le, Thanh‑Dao Tran, Phuong Nguyen Hoai Huynh, Dieu‑Thuong Thi Trinh, Quoc‑Thai Nguyen, and Khac‑Minh Thai

Molecular Diversity. 2022; 26(5):2659-2678. DOI: 10.1007/s11030-021-10359-4.

Structure-based discovery of interleukin-33 inhibitors: a pharmacophore modelling, molecular docking, and molecular dynamics simulations approach

Minh-Tri Le,* Tan Thanh Mai,* Phuong Huynh Nguyen Hoai, Thanh-Dao Tran, Khac-Minh Thai, and Quoc-Thai Nguyen

SAR and QSAR in Environmental Research. 2020; 31(12):883-904. DOI: 10.1080/1062936X.2020.1837239.

Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity

Thai-Son Tran, Thanh-Dao Tran, The-Huan Tran, Thanh-Tan Mai, Ngoc-Le Nguyen, Khac-Minh Thai, and Minh-Tri Le

Molecules. 2020; 25(18):4064. DOI: 10.3390/molecules25184064.

Three- and four-class classification models for P-glycoprotein inhibitors using counter-propagation neural networks

Khac-Minh Thai, Nghia-Tin Huynh, Trieu-Du Ngo, Thanh-Tan Mai, Trong-Hiep Nguyen, and Thanh-Dao Tran

SAR and QSAR in Environmental Research. 2015; 26(2):139-163. DOI: 10.1080/1062936X.2014.995701.

Large-Scale Virtual Screening of Inhibitors Targeting the ST2 Receptor Based on a Novel Allosteric Pocket Identified through Mixed-Solvent Molecular Dynamics Simulations

Tan Thanh Mai, Song-Ky Nguyen-Vo, Thua-Phong Lam, and Khac-Minh Thai

The 4^th ASEAN PharmNET 2024 & The 2024 US-Thai Pharmacy Consortium Conference: The 30th Anniversary Commemoration, June 12-14, 2024, Bangkok, Thailand.

Identification of Putative Orthosteric and Allosteric Binding Sites of Interleukin-33 using Extensive Molecular Dynamics Simulations

Tan Thanh Mai, Thua-Phong Lam, Long-Hung Dinh Pham, Kim-Hung Nguyen, and Khac-Minh Thai

The 9^th International Electronic Conference on Medicinal Chemistry, November 1-30, 2023, Online on Sciforum.

Identification of novel inhibitors of interleukin-33 using 3D shape-based similarity approach

Tan Thanh Mai, Thua-Phong Lam, Trong-Nghia Vo Lai, Bao-Tran Ngoc Dang, Son-Thach Mai, Lan-Anh Nguyen, and Khac-Minh Thai

Asian Federation for Pharmaceutical Sciences Conference 2023, November 8-10, 2023 in Hanoi, Vietnam.

Identification of a potential binding site on the ST2 receptor using blind-docking and automated cavity-detection approach

Tan Thanh Mai, Bao-Tran Ngoc Dang, Lan-Anh Nguyen, Son-Thach Mai, and Khac-Minh Thai

Asian Federation for Pharmaceutical Sciences Conference 2023, November 8-10, 2023 in Hanoi, Vietnam.

Discovery of Interleukin-33 receptor inhibitors for the treatment of cytokine storm in COVID-19 patients

Tan Thanh Mai, Quoc-Thai Nguyen, and Khac-Minh Thai

Rencontres de Quy Nhon – Biology Conference 2021, Session 2 – Fundamental and Clinical Research during the COVID-19 pandemic, December 13-15, 2021, ICISE Quy Nhon, Vietnam.

Exploration of chalcones as SARS-CoV-2 papain-like protease inhibitors using computational approaches

Tan Thanh Mai, Phong Thua Lam, Thao Thi Thai, Thanh-Dao Tran, and Khac-Minh Thai

Rencontres de Quy Nhon – Biology Conference 2021, Session 2 – Fundamental and Clinical Research during the COVID-19 pandemic, December 13-15, 2021, ICISE Quy Nhon, Vietnam.

2D-QSAR models for prediction of Hepatis C virus NS3/4A protease inhibitors

Phuong Thi-Kim Nguyen, Hai Quang Luong, Diem Thi-Thuy Dao, and Tan Thanh Mai

The 4^th Pan-Asian Biomedical Science Conference, Medical Device and High Throughput Data session, December 6-7, 2018, Da Nang, Vietnam.

Design of small molecular inhibitors for Interleukin-33

Thanh-Tan Mai, Thi-Thu-Ha Nguyen, Thanh-Dao Tran, Minh-Tri Le, and Khac-Minh Thai

The 2^nd International Conference On Pharmacy Education and Research Network of ASEAN 2017 (ASEAN PharmNET 2017), November 21-22, 2017, Kuala Lumpur, Malaysia.

In silico modeling for antimalarial compounds

Mai Thanh Tan, Do Trong Nhat, Dong Quoc Hiep, Nguyen Duc Khanh Tho, Le Thanh Man, and Thai Khac Minh

Pharma Indochina VIII – ASEAN Pharmacy – Integration for Development, December 4-5, 2013, Ho Chi Minh City, Vietnam.

Proceeding of The Eighth Indochina Conference on Pharmaceuticals Sciences, 2013, ISBN 604660159-2, pp. 503-509.