PharmRL: pharmacophore elucidation with deep geometric reinforcement learning by Rishal Aggarwal, David R. Koes

Subjects: “…Pharmacophores…”
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Exploring novel and potent glycogen synthase kinase-3β inhibitors through systematic drug designing approach by Shabir Ahmad Ganai, Suma Mohan, Shahid Ahmad Padder

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Chemistry and pharmacological diversity of quinoxaline motifs as anticancer agents by Ajani Olayinka O., Nlebemuo Martins T., Adekoya Joseph A., Ogunniran Kehinde O., Siyanbola Tolutope O., Ajanaku Christiana O.

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Towards the discovery of molecules with anti-COVID-19 activity: Relationships between screening and docking results by Dmytro Anokhin, Sergiy Kovalenko, Pavlo Trostianko, Alexander Kyrychenko, Anton Zakharov, Tetiana Zubatiuk, Volodymyr Ivanov, Oleg Kalugin

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dyphAI dynamic pharmacophore modeling with AI: a tool for efficient screening of new acetylcholinesterase inhibitors by Yasser Hayek-Orduz, Dorian Armando Acevedo-Castro, Dorian Armando Acevedo-Castro, Juan Sebastián Saldarriaga Escobar, Brandon Eli Ortiz-Domínguez, María Francisca Villegas-Torres, Paola A. Caicedo, Álvaro Barrera-Ocampo, Natalie Cortes, Edison H. Osorio, Andrés Fernando González Barrios

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Identification of New Potential APE1 Inhibitors by Pharmacophore Modeling and Molecular Docking by In Won Lee, Jonghwan Yoon, Gunhee Lee, Minho Lee

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Linking machine learning and biophysical structural features in drug discovery by Armin Ahmadi, Shivangi Gupta, Vineetha Menon, Jerome Baudry

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Pharmacophore-based approach for the identification of prospective UDP-2,3-diacylglucosamine hydrolase (LpxH) inhibitor from natural product database against Salmonella Typhi by Divyapriya Karthikeyan, Sanjit Kumar, NS Jayaprakash

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Structure- and Ligand-Based Virtual Screening for Identification of Novel TRPV4 Antagonists by Atefeh Saadabadi, Linda Wilkman, Marja Rantanen, Ari-Pekka Koivisto, Outi M. H. Salo-Ahen

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Design, synthesis and evaluation of benzofuran-acetamide scaffold as potential anticonvulsant agent by Shakya Ashok K., Kamal Mehnaz, Balaramnavar Vishal M., Bardaweel Sanna K., Naik Rajashri R., Saxena Anil K., Siddiqui H. H.

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Multi-stage structure-based virtual screening approach combining 3D pharmacophore, docking and molecular dynamic simulation towards the identification of potential selective PARP-1... by Mahmoud A. El Hassab, Wagdy M. Eldehna, Ghaneya S. Hassan, Sahar M. Abou-Seri

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Identification of potential COVID-19 main protease inhibitors using structure-based pharmacophore approach, molecular docking and repurposing studies by Daoud Safa, Alabed Shada J., Dahabiyeh Lina A.

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Identification of Novel LCN2 Inhibitors Based on Construction of Pharmacophore Models and Screening of Marine Compound Libraries by Fragment Design by Ningying Zheng, Xuan Li, Nan Zhou, Lianxiang Luo

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Identification of natural compound inhibitors for substrate-binding site of MTHFD2 enzyme: Insights from structure-based drug design and biomolecular simulations by Nisarg Rana, Priyanka Solanki, Rukmankesh Mehra, Anu Manhas

Subjects: “…multicomplex-based pharmacophore modeling…”
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