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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 32, 2017 - Issue 1
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Research Article

Exhaustive CoMFA and CoMSIA analyses around different chemical entities: a ligand-based study exploring the affinity and selectivity profiles of 5-HT1A ligands

Sara GuarientoDepartment of Pharmacy, University of Genoa, Genoa, Italy;
,
Silvia FranchiniDepartment of Life Sciences, University of Modena and Reggio Emilia, Modena, Italy
,
Michele TonelliDepartment of Pharmacy, University of Genoa, Genoa, Italy;
,
Paola FossaDepartment of Pharmacy, University of Genoa, Genoa, Italy;
,
Claudia SorbiDepartment of Life Sciences, University of Modena and Reggio Emilia, Modena, Italy
,
Elena CicheroDepartment of Pharmacy, University of Genoa, Genoa, Italy; Correspondence[email protected]
&
Livio BrasiliDepartment of Life Sciences, University of Modena and Reggio Emilia, Modena, ItalyCorrespondence[email protected]
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Pages 214-230 | Received 10 Jul 2016, Accepted 28 Sep 2016, Published online: 23 Jan 2017

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Akshara Pande, Mahesh Manchanda, Hans Raj Bhat, Partha Sarathi Bairy, Navin Kumar & Prashant Gahtori. (2022) Molecular insights into a mechanism of resveratrol action using hybrid computational docking/CoMFA and machine learning approach. Journal of Biomolecular Structure and Dynamics 40:18, pages 8286-8300.
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Fangfang Wang, Wei Yang, Ran Li, Zhihai Sui, Guijuan Cheng & Bo Zhou. (2021) Molecular description of pyrimidine-based inhibitors with activity against FAK combining 3D-QSAR analysis, molecular docking and molecular dynamics. Arabian Journal of Chemistry 14:6, pages 103144.
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Pasquale Linciano, Claudia Sorbi, Antonella Comitato, Anna Lesniak, Magdalena Bujalska-Zadrożny, Agata Pawłowska, Anna Bielenica, Jolanta Orzelska-Górka, Ewa Kędzierska, Grażyna Biała, Simone Ronsisvalle, Silvia Limoncella, Livio Casarini, Elena Cichero, Paola Fossa, Grzegorz Satała, Andrzej J. Bojarski, Livio Brasili, Rita Bardoni & Silvia Franchini. (2020) Identification of a Potent and Selective 5-HT 1A Receptor Agonist with In Vitro and In Vivo Antinociceptive Activity . ACS Chemical Neuroscience 11:24, pages 4111-4127.
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Silvia Franchini, Claudia Sorbi, Pasquale Linciano, Gianluca Carnevale, Annalisa Tait, Simone Ronsisvalle, Michela Buccioni, Fabio Del Bello, Antonio Cilia, Lorenza Pirona, Nunzio Denora, Rosa Maria Iacobazzi & Livio Brasili. (2019) 1,3-Dioxane as a scaffold for potent and selective 5-HT1AR agonist with in-vivo anxiolytic, anti-depressant and anti-nociceptive activity. European Journal of Medicinal Chemistry 176, pages 310-325.
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Weineng Zhou, Shuai Lu, Yanmin Zhang, Lingfeng Yin, Lu Zhu, Junnan Zhao, Tao Lu, Yadong Chen & Haichun Liu. (2019) In Silico Design of New B-Raf Kinase Type-II Inhibitors Through Combined Molecular Modeling Studies. Letters in Drug Design & Discovery 16:5, pages 570-583.
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Rafaela de Angelo, Michell Almeida, Heberth de Paula & Kathia Honorio. (2018) Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques. International Journal of Molecular Sciences 19:12, pages 3728.
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Rajesh B. Patil, Euzebio G. Barbosa, Jaiprakash N. Sangshetti, Vishal P. Zambre & Sanjay D. Sawant. (2018) Structural insights of dipeptidyl peptidase-IV inhibitors through molecular dynamics-guided receptor-dependent 4D-QSAR studies. Molecular Diversity 22:3, pages 575-583.
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Zheng-Song Gu, Ai-nan Zhou, Ying Xiao, Qing-Wei Zhang & Jian-Qi Li. (2018) Synthesis and antidepressant-like activity of novel aralkyl piperazine derivatives targeting SSRI/5-HT 1A /5-HT 7. European Journal of Medicinal Chemistry 144, pages 701-715.
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Ferdinando Fiorino, Elisa Magli, Ewa Kędzierska, Antonio Ciano, Angela Corvino, Beatrice Severino, Elisa Perissutti, Francesco Frecentese, Paola Di Vaio, Irene Saccone, Angelo A. Izzo, Raffaele Capasso, Paola Massarelli, Ilaria Rossi, Jolanta Orzelska-Gòrka, Jolanta Helena Kotlińska, Vincenzo Santagada & Giuseppe Caliendo. (2017) New 5-HT1A, 5HT2A and 5HT2C receptor ligands containing a picolinic nucleus: Synthesis, in vitro and in vivo pharmacological evaluation. Bioorganic & Medicinal Chemistry 25:20, pages 5820-5837.
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