Search results: Sage Journals

Restricted accessResearch articleFirst published June, 2026

Assessing the Neurotoxicity of Bisphenol A Using Network Toxicology,Molecular Docking,and Molecular Dynamics Simulation

Wanyu Huang, Xuanyu Lin, Shuang Li [...]

International Journal of Toxicology

Open accessResearch articleFirst published 2026

In Silico Molecular Docking,Dynamics,and MM-GBSA Analysis of Oxindole-triazole Hybrids Targeting KatG for Potential Anti-tubercular Activity

Naveen Kumar R., Sundarrajan Thirunanasambandam

Journal of Applied Pharmaceutical Science

Open accessResearch articleFirst published August, 2022

Network Pharmacology,Molecular Docking and Molecular Dynamics Simulation Studies of the Molecular Targets and Mechanisms of ChuanKeZhi in the Treatment of COVID-19

Jiaying Yuan, Yiqing Zhu, Jiayi Zhao [...]

Natural Product Communications

Open accessResearch articleFirst published 2017

Modification of S -Adenosyl- l -Homocysteine as Inhibitor of Nonstructural Protein 5 Methyltransferase Dengue Virus Through Molecular Docking and Molecular Dynamics Simulation

Usman Sumo Friend Tambunan, Mochammad Arfin Fardiansyah Nasution, Fauziah Azhima [...]

Drug Target Insights

Open accessResearch articleFirst published 2023

In silico Structure Prediction,Molecular Docking,and Dynamic Simulation of Plasmodium falciparum AP2-I Transcription Factor

David O Oladejo, Gbolahan O Oduselu, Titilope M Dokunmu [...]

Bioinformatics and Biology Insights

Open accessResearch articleFirst published November, 2022

Molecular Docking and Dynamics Simulation Studies of Ginsenosides with SARS-CoV-2 Host and Viral Entry Protein Targets

Pang Shifeng, Vinothini Boopathi, Mohanapriya Murugesan [...]

Natural Product Communications

Open accessResearch articleFirst published November, 2024

In silico molecular docking and molecular dynamics of Prinsepia utilis phytochemicals as potential inhibitors of phosphodiesterase 4B

Cao Hoang Minh Chau, Ngu Thi Tra Giang, Nguyen Thi Thuy Tram [...]

Journal of Chemical Research

Open accessResearch articleFirst published 2026

Exploring the mechanism of ursodeoxycholic acid in the treatment of osteoarthritis based on network pharmacology,molecular docking,and molecular dynamics simulations

Xin Li, Jinhe Xiong

European Journal of Inflammation

Open accessResearch articleFirst published March, 2026

In silico molecular docking and molecular dynamics simulation of Baeckea frutescens phytochemicals as mitogen-activated protein kinase 3 (MAPK3) potential inhibitors

Hoang Thi Tue Trang, Ngu Thi Tra Giang, Nguyen Thi Thuy Tram [...]

Journal of Chemical Research

Open accessResearch articleFirst published December, 2022

Exploring the Potential Mechanism of Danshen in the Treatment of Concurrent Ischemic Heart Disease and Depression Using Network Pharmacology,Molecular Docking,and Molecular Dynamics Simulation

Zhiyao Liu, Hailiang Huang, Ying Yu [...]

Natural Product Communications

Restricted accessResearch articleFirst published June, 2026

Assessing the Neurotoxicity of Bisphenol A Using Network Toxicology,Molecular Docking,and Molecular Dynamics Simulation

Wanyu Huang, Xuanyu Lin, Shuang Li [...]

International Journal of Toxicology

Open accessResearch articleFirst published 2026

In Silico Molecular Docking,Dynamics,and MM-GBSA Analysis of Oxindole-triazole Hybrids Targeting KatG for Potential Anti-tubercular Activity

Naveen Kumar R., Sundarrajan Thirunanasambandam

Journal of Applied Pharmaceutical Science

Open accessResearch articleFirst published August, 2022

Network Pharmacology,Molecular Docking and Molecular Dynamics Simulation Studies of the Molecular Targets and Mechanisms of ChuanKeZhi in the Treatment of COVID-19

Jiaying Yuan, Yiqing Zhu, Jiayi Zhao [...]

Natural Product Communications

Open accessResearch articleFirst published 2017

Modification of S -Adenosyl- l -Homocysteine as Inhibitor of Nonstructural Protein 5 Methyltransferase Dengue Virus Through Molecular Docking and Molecular Dynamics Simulation

Usman Sumo Friend Tambunan, Mochammad Arfin Fardiansyah Nasution, Fauziah Azhima [...]

Drug Target Insights

Open accessResearch articleFirst published 2023

In silico Structure Prediction,Molecular Docking,and Dynamic Simulation of Plasmodium falciparum AP2-I Transcription Factor

David O Oladejo, Gbolahan O Oduselu, Titilope M Dokunmu [...]

Bioinformatics and Biology Insights

Open accessResearch articleFirst published November, 2022

Molecular Docking and Dynamics Simulation Studies of Ginsenosides with SARS-CoV-2 Host and Viral Entry Protein Targets

Pang Shifeng, Vinothini Boopathi, Mohanapriya Murugesan [...]

Natural Product Communications

Open accessResearch articleFirst published November, 2024

In silico molecular docking and molecular dynamics of Prinsepia utilis phytochemicals as potential inhibitors of phosphodiesterase 4B

Cao Hoang Minh Chau, Ngu Thi Tra Giang, Nguyen Thi Thuy Tram [...]

Journal of Chemical Research

Open accessResearch articleFirst published 2026

Exploring the mechanism of ursodeoxycholic acid in the treatment of osteoarthritis based on network pharmacology,molecular docking,and molecular dynamics simulations

Xin Li, Jinhe Xiong

European Journal of Inflammation

Open accessResearch articleFirst published March, 2026

In silico molecular docking and molecular dynamics simulation of Baeckea frutescens phytochemicals as mitogen-activated protein kinase 3 (MAPK3) potential inhibitors

Hoang Thi Tue Trang, Ngu Thi Tra Giang, Nguyen Thi Thuy Tram [...]

Journal of Chemical Research

Open accessResearch articleFirst published December, 2022

Exploring the Potential Mechanism of Danshen in the Treatment of Concurrent Ischemic Heart Disease and Depression Using Network Pharmacology,Molecular Docking,and Molecular Dynamics Simulation

Zhiyao Liu, Hailiang Huang, Ying Yu [...]

Natural Product Communications