Duc Duy Vo

Docking of virtual libraries identifies small-molecule agonists of neurotensin receptors with analgesic activity

Panel, Nicolas; Vo, Duy Duc; Hübner, Harald; Deluigi, Mattia et al.

Part of Nature Communications, 2026

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Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139

Cabeza de Vaca, Israel; Trapkov, Boris; Shen, Ling; Vo, Duy Duc et al.

Part of Nature Communications, 2025

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Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space

Luttens, Andreas; Vo, Duc Duy; Scaletti, Emma; Wiita, Elisée et al.

Part of Nature Communications, 2025

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Pyrimidine-Containing Amino Acid Derivatives as New Anticancer Agents

Le, Tin Thanh; Le, Nguyen Phi Cat; Phung, Thi Nga; Le, Thi Thanh Huong et al.

Part of ChemistrySelect, 2025

• DOI for Pyrimidine-Containing Amino Acid Derivatives as New Anticancer Agents

Structure-based discovery of positive allosteric modulators of the A₁ adenosine receptor

Nguyen, Anh T. N.; Panel, Nicolas; Vo, Duc Duy; Thai, Bui San et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2025

• DOI for Structure-based discovery of positive allosteric modulators of the A₁ adenosine receptor
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Docking of virtual libraries identifies small-molecule agonists of neurotensin receptors with analgesic activity

Panel, Nicolas; Vo, Duy Duc; Hübner, Harald; Deluigi, Mattia et al.

Part of Nature Communications, 2026

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Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139

Cabeza de Vaca, Israel; Trapkov, Boris; Shen, Ling; Vo, Duy Duc et al.

Part of Nature Communications, 2025

• DOI for Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139
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Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space

Luttens, Andreas; Vo, Duc Duy; Scaletti, Emma; Wiita, Elisée et al.

Part of Nature Communications, 2025

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Pyrimidine-Containing Amino Acid Derivatives as New Anticancer Agents

Le, Tin Thanh; Le, Nguyen Phi Cat; Phung, Thi Nga; Le, Thi Thanh Huong et al.

Part of ChemistrySelect, 2025

• DOI for Pyrimidine-Containing Amino Acid Derivatives as New Anticancer Agents

Structure-based discovery of positive allosteric modulators of the A₁ adenosine receptor

Nguyen, Anh T. N.; Panel, Nicolas; Vo, Duc Duy; Thai, Bui San et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2025

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AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine-associated receptor 1

Díaz-Holguin, Alejandro; Saarinen, Marcus; Vo, Duc Duy; Sturchio, Andrea et al.

Part of Science Advances, 2024

• DOI for AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine-associated receptor 1
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N-(Heteroaryl)thiophene sulfonamides as angiotensin AT2 receptor ligands

Wannberg, Johan; Gising, Johan; Henriksson, Martin; Vo, Duc Duy et al.

Part of European Journal of Medicinal Chemistry, 2024

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Beware of extreme calculated lipophilicity when designing cyclic peptides

Poongavanam, Vasanthanathan; Vo, Duc Duy; Kihlberg, Jan

Part of Nature Chemical Biology, p. 1242-1245, 2024

• DOI for Beware of extreme calculated lipophilicity when designing cyclic peptides

Asymmetric imidazole-4,5-dicarboxamide derivatives as SARS-CoV-2 main protease inhibitors: design, synthesis and biological evaluation

Huynh, Phuong Nguyen Hoai; Khamplong, Phatcharin; Phan, Minh-Hoang; Nguyen, Thanh-Phuc et al.

Part of RSC Medicinal Chemistry, p. 3880-3888, 2024

• DOI for Asymmetric imidazole-4,5-dicarboxamide derivatives as SARS-CoV-2 main protease inhibitors: design, synthesis and biological evaluation

Discovery of a Series of Macrocycles as Potent Inhibitors of Leishmania Infantum

Riu, Federico; Ruppitsch, Larissa Alena; Vo, Duc Duy; Hong, Richard S. et al.

Part of Journal of Medicinal Chemistry, p. 18170-18193, 2024

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Synthesis and Anticancer Evaluation of Novel Coumarin Derivatives

Dam, Thi Thanh Hai; Chan, Doan Phuong Anh; Phan, Minh Tan; To, Thi Kim Linh et al.

Part of ChemistrySelect, 2024

• DOI for Synthesis and Anticancer Evaluation of Novel Coumarin Derivatives

Design of Drug Efficacy Guided by Free Energy Simulations of the β₂-Adrenoceptor

Panel, Nicolas; Vo, Duc Duy; Kahlous, Nour Aldin; Hübner, Harald et al.

Part of Angewandte Chemie International Edition, 2023

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Diarylether-Amino Acid Conjugates as New Class of Anticancer Agents

Thanh Le, Thanh; Huy Vo, Vinh; Thanh Huong Le, Thi; Huy Hoang Vo, Nguyen et al.

Part of ChemistrySelect, 2023

• DOI for Diarylether-Amino Acid Conjugates as New Class of Anticancer Agents

Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists

Matricon, Pierre; Nguyen, Anh T. N.; Vo, Duc Duy; Baltos, Jo-Anne et al.

Part of European Journal of Medicinal Chemistry, 2023

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Simulation Reveals the Chameleonic Behavior of Macrocycles

Sethio, Daniel; Poongavanam, Vasanthanathan; Xiong, Ruisheng; Tyagi, Mohit et al.

Part of Journal of Chemical Information and Modeling, p. 138-146, 2023

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N,2,6-Trisubstituted 1H-benzimidazole derivatives as a new scaffold of antimicrobial and anticancer agents: design, synthesis, in vitro evaluation, and in silico studies

Pham, Em Canh; Thi, Tuong Vi Le; Hong, Huong Ha Ly; Thi, Bich Ngoc Vo et al.

Part of RSC Advances, p. 399-420, 2023

• DOI for N,2,6-Trisubstituted 1H-benzimidazole derivatives as a new scaffold of antimicrobial and anticancer agents: design, synthesis, in vitro evaluation, and in silico studies
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Elucidation of the nematicidal mode of action of grammicin on Caenorhabditis elegans

Nguyen, Van Thi; Park, Ae Ran; Duraisamy, Kalaiselvi; Vo, Duc Duy et al.

Part of Pesticide Biochemistry and Physiology, 2022

• DOI for Elucidation of the nematicidal mode of action of grammicin on Caenorhabditis elegans

Synthesis of a Series of Novel 2-Amino-5-substituted 1,3,4-oxadiazole and 1,3,4-thiadiazole Derivatives as Potential Anticancer, Antifungal and Antibacterial Agents

Pham, Em Canh; Truong, Tuyen Ngoc; Dong, Nguyen Hanh; Vo, Duc Duy et al.

Part of Medicinal chemistry, p. 558-573, 2022

• DOI for Synthesis of a Series of Novel 2-Amino-5-substituted 1,3,4-oxadiazole and 1,3,4-thiadiazole Derivatives as Potential Anticancer, Antifungal and Antibacterial Agents

Anticancer Activity of New 1,2,3-Triazole-Amino Acid Conjugates

Le, Thanh Thanh; Le, Phung Thi Kim; Dam, Hai Thi Thanh; Vo, Duc Duy et al.

Part of Molbank, 2021

• DOI for Anticancer Activity of New 1,2,3-Triazole-Amino Acid Conjugates
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Fragment-based design of selective GPCR ligands guided by free energy simulations

Matricon, Pierre; Vo, Duc Duy; Gao, Zhan-Guo; Kihlberg, Jan et al.

Part of Chemical Communications, p. 12305-12308, 2021

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Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology

Kampen, Stefanie; Vo, Duc Duy; Zhang, Xiaoqun; Panel, Nicolas et al.

Part of Angewandte Chemie International Edition, p. 18022-18030, 2021

• DOI for Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology
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Docking Finds GPCR Ligands in Dark Chemical Matter

Ballante, Flavio; Rudling, Axel; Zeifman, Alexey; Luttens, Andreas et al.

Part of Journal of Medicinal Chemistry, p. 613-620, 2020

• DOI for Docking Finds GPCR Ligands in Dark Chemical Matter

Synthesis of new 1,2,3-triazole derivatives from vanillin and beta-naphthol

Tai, Thai Duy Phuoc; Ngoan, Le Hoang; Thanh, Le Thanh; Vo, Duc Duy et al.

Part of VIETNAM JOURNAL OF CHEMISTRY, p. 116-120, 2019

• DOI for Synthesis of new 1,2,3-triazole derivatives from vanillin and beta-naphthol

Building of neomycin-nucleobase-amino acid conjugates for the inhibition of oncogenic miRNAs biogenesis

Vo, Duc Duy; Becquart, Cecile; Tran, Thi Phuong Anh; Di Giorgio, Audrey et al.

Part of Organic and biomolecular chemistry, p. 6262-6274, 2018

• DOI for Building of neomycin-nucleobase-amino acid conjugates for the inhibition of oncogenic miRNAs biogenesis

An update on obesity: Mental consequences and psychological interventions

Chu, Dinh-Toi; Nguyet, Nguyen Thi Minh; Nga, Vu Thi; Lien, Nguyen Vu Thai et al.

Part of Diabetes & Metabolic syndrome, p. 155-160, 2019

• DOI for An update on obesity: Mental consequences and psychological interventions