Citations (18)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (5)
Jainey P. James, Vinod Devaraji, Pradija Sasidharan & T. S. Pavan. (2023) Pharmacophore Modeling, 3D QSAR, Molecular Dynamics Studies and Virtual Screening on Pyrazolopyrimidines as anti-Breast Cancer Agents. Polycyclic Aromatic Compounds 43:8, pages 7456-7473.
Read now
Read now
Sivashanmugam Muthukumaran, K. N. Sulochana & Vetrivel Umashankar. (2021) Structure based design of inhibitory peptides targeting ornithine decarboxylase dimeric interface and in vitro validation in human retinoblastoma Y79 cells. Journal of Biomolecular Structure and Dynamics 39:14, pages 5261-5275.
Read now
Read now
V. Navyashree, Kamal Kant & Anoop Kumar. (2021) Natural chemical entities from Arisaema genus might be a promising break-through against Japanese encephalitis virus infection: a molecular docking and dynamics approach. Journal of Biomolecular Structure and Dynamics 39:4, pages 1404-1416.
Read now
Read now
Xue Liu, Wei Li, Baichun Hu, Mingxing Wang, Jian Wang & Lijie Guan. (2019) Identification of isobavachalcone as a potential drug for rice blast disease caused by the fungus Magnaporthe grisea. Journal of Biomolecular Structure and Dynamics 37:13, pages 3399-3409.
Read now
Read now
S. R. Shruti & R. Rajasekaran. (2019) Identification of protegrin-1 as a stable and nontoxic scaffold among protegrin family – a computational approach. Journal of Biomolecular Structure and Dynamics 37:9, pages 2430-2439.
Read now
Read now
Articles from other publishers (13)
M. Abirami, Banoth Karan Kumar, Faheem, Sanchita Dey, Samridhi Johri, Rosa M. Reguera, Rafael Balaña-Fouce, Kondapalli Venkata Gowri Chandra Sekhar & Murugesan Sankaranarayanan. (2023) Molecular-level strategic goals and repressors in Leishmaniasis – Integrated data to accelerate target-based heterocyclic scaffolds. European Journal of Medicinal Chemistry 257, pages 115471.
Crossref
Crossref
Bo-Wen Ye, Li-Xia Zhao, Zi-Wei Wang, Juan Shi, Xin-Yu Leng, Shuang Gao, Ying Fu & Fei Ye. (2023) Design, Synthesis, and Bioactivity of Novel Ester-Substituted Cyclohexenone Derivatives as Safeners. Journal of Agricultural and Food Chemistry.
Crossref
Crossref
Qingbo Xu, Zhixiang Zhao, Peibo Liang, Simin Wang, Fang Li, Shuhui Jin & Jianjun Zhang. (2022) Identification of novel nematode succinate dehydrogenase inhibitors: Virtual screening based on ligand‐pocket interactions. Chemical Biology & Drug Design 101:1, pages 9-23.
Crossref
Crossref
Jia-Yu Wang, Li-Xia Zhao, Juan Shi, Shuang Gao, Fei Ye & Ying Fu. (2022) Discovery of novel HPPD inhibitors based on a combination strategy of pharmacophore, consensus docking and molecular dynamics. Journal of Molecular Liquids 362, pages 119683.
Crossref
Crossref
Li Zong, Guorong Cheng, Jingwu Zhao, Xiaoyu Zhuang, Zhong Zheng, Zhiqiang Liu & Fengrui Song. (2022) Inhibitory Effect of Ursolic Acid on the Migration and Invasion of Doxorubicin-Resistant Breast Cancer. Molecules 27:4, pages 1282.
Crossref
Crossref
V. Umashankar, Sanjay H. Deshpande, Harsha V. Hegde, Ishwar Singh & Debprasad Chattopadhyay. (2021) Phytochemical Moieties From Indian Traditional Medicine for Targeting Dual Hotspots on SARS-CoV-2 Spike Protein: An Integrative in-silico Approach. Frontiers in Medicine 8.
Crossref
Crossref
Guode Zhao, Xirong Tian, Jian Wang, Maosheng Cheng, Tianyu Zhang & Zihou Wang. (2021)
The structure-based virtual screening of non-benzofuran inhibitors against
M. tuberculosis
Pks13-TE for anti-tuberculosis phenotypic discovery
. New Journal of Chemistry 45:3, pages 1286-1300.
Crossref
Crossref
Janke Kleynhans, Hendrik Gerhardus Kruger, Theunis Cloete, Jan Rijn Zeevaart & Thomas Ebenhan. (2020) In Silico Modelling in the Development of Novel Radiolabelled Peptide Probes. Current Medicinal Chemistry 27:41, pages 7048-7063.
Crossref
Crossref
Giovanny Aguilera-Durán & Antonio Romo-Mancillas. (2020) Computational Study of C-X-C Chemokine Receptor (CXCR)3 Binding with Its Natural Agonists Chemokine (C-X-C Motif) Ligand (CXCL)9, 10 and 11 and with Synthetic Antagonists: Insights of Receptor Activation towards Drug Design for Vitiligo. Molecules 25:19, pages 4413.
Crossref
Crossref
Ying Fu, Tong Ye, Yong-Xuan Liu, Jian Wang & Fei Ye. (2020) Based on the Virtual Screening of Multiple Pharmacophores, Docking and Molecular Dynamics Simulation Approaches toward the Discovery of Novel HPPD Inhibitors. International Journal of Molecular Sciences 21:15, pages 5546.
Crossref
Crossref
Baichun Hu, Johnson Joseph, Xiaohui Geng, Yiheng Wu, Muhammad R. Suleiman, Xinyue Liu, Jiyue Shi, Xiujun Wang, Zhicheng He, Jian Wang & Maosheng Cheng. (2020) Refined pharmacophore features for virtual screening of human thromboxane A2 receptor antagonists. Computational Biology and Chemistry 86, pages 107249.
Crossref
Crossref
Ravi Kumar Rajan & M. Ramanathan. (2020) Identification and neuroprotective evaluation of a potential c-Jun N-terminal kinase 3 inhibitor through structure-based virtual screening and in-vitro assay. Journal of Computer-Aided Molecular Design 34:6, pages 671-682.
Crossref
Crossref
Umashankar Vetrivel & Hemavathy Nagarajan. (2018) Deciphering ophthalmic adaptive inhibitors targeting RON4 of Toxoplasma gondii: An integrative in silico approach. Life Sciences 213, pages 82-93.
Crossref
Crossref