Artículos de revistas sobre el tema "PHARMACOPHORE MODELING"
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Kutlushina, Alina, Aigul Khakimova, Timur Madzhidov y Pavel Polishchuk. "Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures". Molecules 23, n.º 12 (27 de noviembre de 2018): 3094. http://dx.doi.org/10.3390/molecules23123094.
Texto completoMortier, Jérémie, Pratik Dhakal y Andrea Volkamer. "Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces". Molecules 23, n.º 8 (6 de agosto de 2018): 1959. http://dx.doi.org/10.3390/molecules23081959.
Texto completoMadzhidov, Timur I., Assima Rakhimbekova, Alina Kutlushuna y Pavel Polishchuk. "Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores". Molecules 25, n.º 2 (17 de enero de 2020): 385. http://dx.doi.org/10.3390/molecules25020385.
Texto completoKumar, Saurav, Deepika Deepika y Vikas Kumar. "Pharmacophore Modeling Using Machine Learning for Screening the Blood–Brain Barrier Permeation of Xenobiotics". International Journal of Environmental Research and Public Health 19, n.º 20 (18 de octubre de 2022): 13471. http://dx.doi.org/10.3390/ijerph192013471.
Texto completoAFFI, Sopi Thomas, Doh SORO, Souleymane COULIBALY, Bibata KONATE y Nahossé ZIAO. "Modeling anticancer pharmacophore based on inhibition of HDAC7". SDRP Journal of Computational Chemistry & Molecular Modeling 5, n.º 3 (2021): 657–63. http://dx.doi.org/10.25177/jccmm.5.3.ra.10776.
Texto completoMansi, Iman A., Mahmoud A. Al-Sha'er, Nizar M. Mhaidat, Mutasem O. Taha y Rand Shahin. "Investigation of Binding Characteristics of Phosphoinositide-dependent Kinase-1 (PDK1) Co-crystallized Ligands Through Virtual Pharmacophore Modeling Leading to Novel Anti-PDK1 Hits". Medicinal Chemistry 16, n.º 7 (6 de noviembre de 2020): 860–80. http://dx.doi.org/10.2174/1573406415666190724131048.
Texto completoKadu, Nilesh S. y Atul V. Ingle. "Three-Dimensional Pharmacophore Modeling of Betulonic Acid Derivatives as a Strong Inhibitor of Human Coronavirus-229E Replication". International Journal of Science and Healthcare Research 6, n.º 2 (1 de julio de 2021): 356–61. http://dx.doi.org/10.52403/ijshr.20210462.
Texto completoMendez, Nixon y Md Afroz Alam. "Structural Features of Quercetin Derivatives by Using Pharmaco-phore Modeling Approach". Open Pharmaceutical Sciences Journal 3, n.º 1 (6 de junio de 2016): 79–98. http://dx.doi.org/10.2174/1874844901603010079.
Texto completoThai, Khac-Minh, Trieu-Du Ngo, Thanh-Dao Tran y Minh-Tri Le. "Pharmacophore Modeling for Antitargets". Current Topics in Medicinal Chemistry 13, n.º 9 (1 de mayo de 2013): 1002–14. http://dx.doi.org/10.2174/1568026611313090004.
Texto completoGuner, Osman y J. Bowen. "Pharmacophore Modeling for ADME". Current Topics in Medicinal Chemistry 13, n.º 11 (1 de junio de 2013): 1327–42. http://dx.doi.org/10.2174/15680266113139990037.
Texto completoEngels, Maida, Se Balaji B, Divakar S. y Geetha G. "LIGAND BASED PHARMACOPHORE MODELING, VIRTUAL SCREENING AND MOLECULAR DOCKING STUDIES TO DESIGN NOVEL PANCREATIC LIPASE INHIBITORS". International Journal of Pharmacy and Pharmaceutical Sciences 9, n.º 4 (14 de febrero de 2017): 48. http://dx.doi.org/10.22159/ijpps.2017v9i4.16392.
Texto completode Groot, Marcel J. y Sean Ekins. "Pharmacophore modeling of cytochromes P450". Advanced Drug Delivery Reviews 54, n.º 3 (marzo de 2002): 367–83. http://dx.doi.org/10.1016/s0169-409x(02)00009-1.
Texto completoHariono, Maywan y Habibah A. Wahab. "Pharmacophore Modeling of N1-alkyltheobromine as Histamine-H1 Receptor Antagonist". International Journal of Modeling and Optimization 5, n.º 2 (abril de 2015): 98–103. http://dx.doi.org/10.7763/ijmo.2015.v5.443.
Texto completoLu, Xin, Hongyu Yang, Yao Chen, Qi Li, Si-yu He, Xueyang Jiang, Feng Feng, Wei Qu y Haopeng Sun. "The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery". Current Pharmaceutical Design 24, n.º 29 (8 de diciembre de 2018): 3424–39. http://dx.doi.org/10.2174/1381612824666180810162944.
Texto completoShirbhate E., Divya, V. K. Patel, P. Patel, R. Veerasamy, T. Jawaid, M. Kamal y H. Rajak. "LEAD IDENTIFICATION OF HYDROXAMATE DERIVATIVE AS SELECTIVE HDAC2 INHIBITOR USING COMPUTATIONAL APPROACHES". INDIAN DRUGS 57, n.º 07 (8 de octubre de 2020): 26–39. http://dx.doi.org/10.53879/id.57.07.12042.
Texto completoKumar, Sivakumar Prasanth y Prakash Chandra Jha. "Multi-Pharmacophore Modeling of Caspase-3 Inhibitors using Crystal, Dock and Flexible Conformation Schemes". Combinatorial Chemistry & High Throughput Screening 21, n.º 1 (20 de marzo de 2018): 26–40. http://dx.doi.org/10.2174/1386207321666180102114917.
Texto completoYamakawa, Yuko, Kazuharu Furutani, Atsushi Inanobe, Yuko Ohno y Yoshihisa Kurachi. "Pharmacophore modeling for hERG channel facilitation". Biochemical and Biophysical Research Communications 418, n.º 1 (febrero de 2012): 161–66. http://dx.doi.org/10.1016/j.bbrc.2011.12.153.
Texto completoNoonan, Theresa, Katrin Denzinger, Valerij Talagayev, Yu Chen, Kristina Puls, Clemens Alexander Wolf, Sijie Liu, Trung Ngoc Nguyen y Gerhard Wolber. "Mind the Gap—Deciphering GPCR Pharmacology Using 3D Pharmacophores and Artificial Intelligence". Pharmaceuticals 15, n.º 11 (22 de octubre de 2022): 1304. http://dx.doi.org/10.3390/ph15111304.
Texto completoChidambaram, Kumarappan. "Identification of BACE-1 Inhibitors against Alzheimer’s Disease through E-Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation Studies: An Insilco Approach". Life 13, n.º 4 (5 de abril de 2023): 952. http://dx.doi.org/10.3390/life13040952.
Texto completoSugumar, Shobana. "VIRTUAL SCREENING, PHARMACOPHORE MODELING, AND QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES ON HISTAMINE 4 RECEPTOR". Asian Journal of Pharmaceutical and Clinical Research 10, n.º 12 (1 de diciembre de 2017): 150. http://dx.doi.org/10.22159/ajpcr.2017.v10i12.19991.
Texto completoJb, Sheema y Waheeta Hopper. "ENERGY-BASED PHARMACOPHORE MODELING, VIRTUAL SCREENING, AND MOLECULAR DYNAMICS TO IDENTIFY POTENTIAL INHIBITORS FOR GLYCOGEN SYNTHASE KINASE 3 BETA". Asian Journal of Pharmaceutical and Clinical Research 11, n.º 2 (1 de febrero de 2018): 181. http://dx.doi.org/10.22159/ajpcr.2018.v11i2.22962.
Texto completoZou, Jun, Huan-Zhang Xie, Sheng-Yong Yang, Jin-Juan Chen, Ji-Xia Ren y Yu-Quan Wei. "Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2". Journal of Molecular Graphics and Modelling 27, n.º 4 (noviembre de 2008): 430–38. http://dx.doi.org/10.1016/j.jmgm.2008.07.004.
Texto completoDong, Xialan, Jerry O. Ebalunode, Sheng-Yong Yang y Weifan Zheng. "Receptor-Based Pharmacophore and Pharmacophore Key Descriptors for Virtual Screening and QSAR Modeling". Current Computer Aided-Drug Design 7, n.º 3 (1 de septiembre de 2011): 181–89. http://dx.doi.org/10.2174/157340911796504332.
Texto completoTodkar, S. S. y A. H. Hoshmani. "DESIGN OF POTENTIAL CYCLOOXYGENASE INHIBITORS USING PHARMACOPHORE OPTIMIZATION BY MOLECULAR MODELING STUDIES". INDIAN DRUGS 52, n.º 12 (28 de diciembre de 2015): 16–22. http://dx.doi.org/10.53879/id.52.12.10154.
Texto completoMansi, Iman, Mahmoud A. Al-Sha'er, Nizar Mhaidat y Mutasem Taha. "Ligand Based Pharmacophore Modeling Followed by Biological Screening Lead to Discovery of Novel PDK1 Inhibitors as Anticancer Agents". Anti-Cancer Agents in Medicinal Chemistry 20, n.º 4 (15 de mayo de 2020): 476–85. http://dx.doi.org/10.2174/1871520620666191224110600.
Texto completoVadlakonda, Rajashekar, Sreenivas Enaganti y Raghunandan Nerella. "INSILICO DISCOVERY OF HUMAN AURORA B KINASE INHIBITORS BY MOLECULAR DOCKING, PHARMACOPHORE VALIDATION AND ADMET STUDIES". Asian Journal of Pharmaceutical and Clinical Research 10, n.º 2 (1 de febrero de 2017): 165. http://dx.doi.org/10.22159/ajpcr.2017.v10i2.14974.
Texto completoAbdElmoniem, Nihal, Marwa H. Abdallah, Rua M. Mukhtar, Fatima Moutasim, Ahmed Rafie Ahmed, Alaa Edris, Walaa Ibraheem et al. "Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies". Molecules 28, n.º 4 (13 de febrero de 2023): 1771. http://dx.doi.org/10.3390/molecules28041771.
Texto completoDerz, Wiebke, Melita Fleischmann y Paul W. Elsinghorst. "Guiding Molecularly Imprinted Polymer Design by Pharmacophore Modeling". Molecules 26, n.º 16 (23 de agosto de 2021): 5101. http://dx.doi.org/10.3390/molecules26165101.
Texto completoPu, Yinglan, Shuqun Zhang, Zhe Chang, Yunqin Zhang, Dong Wang, Li Zhang, Yan Li y Zhili Zuo. "Discovery of new dual binding TNKS inhibitors of Wnt signaling inhibition by pharmacophore modeling, molecular docking and bioassay". Molecular BioSystems 13, n.º 2 (2017): 363–70. http://dx.doi.org/10.1039/c6mb00712k.
Texto completoPeng, Xiu Xiu, Kai Rui Feng y Yu Jie Ren. "Molecular modeling studies of quinazolinone derivatives as novel PI3Kδ selective inhibitors". RSC Advances 7, n.º 89 (2017): 56344–58. http://dx.doi.org/10.1039/c7ra10870b.
Texto completoZhang, Chao, Junjie Xiang, Qian Xie, Jing Zhao, Hong Zhang, Erfang Huang, Pangchui Shaw, Xiaoping Liu y Chun Hu. "Identification of Influenza PAN Endonuclease Inhibitors via 3D-QSAR Modeling and Docking-Based Virtual Screening". Molecules 26, n.º 23 (25 de noviembre de 2021): 7129. http://dx.doi.org/10.3390/molecules26237129.
Texto completoSantos, Kelton L. B. dos, Jorddy N. Cruz, Luciane B. Silva, Ryan S. Ramos, Moysés F. A. Neto, Cleison C. Lobato, Sirlene S. B. Ota et al. "Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches". Molecules 25, n.º 5 (10 de marzo de 2020): 1245. http://dx.doi.org/10.3390/molecules25051245.
Texto completoAgrawal, Nikhil, Balakumar Chandrasekaran y Amal Al-Aboudi. "Recent Advances in the In-silico Structure-based and Ligand-based Approaches for the Design and Discovery of Agonists and Antagonists of A2A Adenosine Receptor". Current Pharmaceutical Design 25, n.º 7 (17 de junio de 2019): 774–82. http://dx.doi.org/10.2174/1381612825666190306162006.
Texto completoDamale, Manoj G., Shahebaaz K. Pathan, Rajesh B. Patil y Jaiprakash N. Sangshetti. "Pharmacoinformatics approaches to identify potential hits against tetraacyldisaccharide 4′-kinase (LpxK) of Pseudomonas aeruginosa". RSC Advances 10, n.º 54 (2020): 32856–74. http://dx.doi.org/10.1039/d0ra06675c.
Texto completoBrogi, Simone, Maria Kladi, Constantinos Vagias, Panagiota Papazafiri, Vassilios Roussis y Andrea Tafi. "Pharmacophore Modeling for Qualitative Prediction of Antiestrogenic Activity". Journal of Chemical Information and Modeling 49, n.º 11 (30 de octubre de 2009): 2489–97. http://dx.doi.org/10.1021/ci900254b.
Texto completoXu, Zhejun, Feixiong Cheng, Chenxiao Da, Guixia Liu y Yun Tang. "Pharmacophore modeling of human adenosine receptor A2A antagonists". Journal of Molecular Modeling 16, n.º 12 (12 de marzo de 2010): 1867–76. http://dx.doi.org/10.1007/s00894-010-0690-z.
Texto completoGhose, Arup K., Vellarkad N. Viswanadhan y John J. Wendoloski. "THE FUNDAMENTALS OF PHARMACOPHORE MODELING IN COMBINATORIAL CHEMISTRY*". Journal of Receptors and Signal Transduction 21, n.º 4 (enero de 2001): 357–75. http://dx.doi.org/10.1081/rrs-100107923.
Texto completoMarkt, Patrick, Daniela Schuster, Johannes Kirchmair, Christian Laggner y Thierry Langer. "Pharmacophore modeling and parallel screening for PPAR ligands". Journal of Computer-Aided Molecular Design 21, n.º 10-11 (octubre de 2007): 575–90. http://dx.doi.org/10.1007/s10822-007-9140-0.
Texto completoBharatham, Kavitha, Nagakumar Bharatham y Keun Woo Lee. "Pharmacophore modeling for protein tyrosine phosphatase 1B inhibitors". Archives of Pharmacal Research 30, n.º 5 (mayo de 2007): 533–42. http://dx.doi.org/10.1007/bf02977644.
Texto completoFaden, Alan I, Vilen A Movsesyan, Xueliang Fang y Shaomeng Wang. "Identification of Novel Neuroprotective Agents Using Pharmacophore Modeling". Chemistry & Biodiversity 2, n.º 11 (noviembre de 2005): 1564–70. http://dx.doi.org/10.1002/cbdv.200590127.
Texto completoKaushik, Pawan, Sukhbir Lal Khokra, A. C. Rana y Dhirender Kaushik. "Pharmacophore Modeling and Molecular Docking Studies on Pinus roxburghii as a Target for Diabetes Mellitus". Advances in Bioinformatics 2014 (10 de julio de 2014): 1–8. http://dx.doi.org/10.1155/2014/903246.
Texto completoSingh, Karanveer, Manish Sinha, Shruti Kuletha, Baljeet Kaur, Amandeep Kaur, Dinesh K. Tripathi, Kishore K. Srivastava, Vanangamudi Murugesan, Rajala Srikala y Amrendra K. Chaudhary. "Synthesis, Antitubercular Activity, Molecular Modeling and Docking Studies of Novel Thiazolidin-4-One Linked Dinitrobenzamide Derivatives". Current Bioactive Compounds 16, n.º 1 (20 de febrero de 2020): 64–71. http://dx.doi.org/10.2174/1573407214666180720150009.
Texto completoMathpal, Deepti, Tahani M. Almeleebia, Kholoud M. Alshahrani, Mohammad Y. Alshahrani, Irfan Ahmad, Mohammed Asiri, Mehnaz Kamal et al. "Identification of 3-((1-(Benzyl(2-hydroxy-2-phenylethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrazine-2-carboxylic Acid as a Potential Inhibitor of Non-Nucleosidase Reverse Transcriptase Inhibitors through InSilico Ligand- and Structure-Based Approaches". Molecules 26, n.º 17 (30 de agosto de 2021): 5262. http://dx.doi.org/10.3390/molecules26175262.
Texto completoKandakatla, Naresh y Geetha Ramakrishnan. "Ligand Based Pharmacophore Modeling and Virtual Screening Studies to Design Novel HDAC2 Inhibitors". Advances in Bioinformatics 2014 (26 de noviembre de 2014): 1–11. http://dx.doi.org/10.1155/2014/812148.
Texto completoMunir, Anum, Shaukat I. Malik y Khalid A. Malik. "De-Novo Ligand Design against Mutated Huntington Gene by Ligand-based Pharmacophore Modeling Approach". Current Computer-Aided Drug Design 16, n.º 2 (25 de marzo de 2020): 134–44. http://dx.doi.org/10.2174/1573409915666181207104437.
Texto completoKaur, Paramjit, Vikas Sharma y Vipin Kumar. "Pharmacophore Modelling and 3D-QSAR Studies on -Phenylpyrazinones as Corticotropin-Releasing Factor 1 Receptor Antagonists". International Journal of Medicinal Chemistry 2012 (31 de mayo de 2012): 1–13. http://dx.doi.org/10.1155/2012/452325.
Texto completoCrisan, Luminita, Daniela Varga y Liliana Pacureanu. "Pharmacophore Modeling and Docking Study of Pyrazolylaminoquinazoline Derivatives as Highly Potent Fibroblast Growth Factor Receptor Inhibitors2 (FGFR2)". Revista de Chimie 70, n.º 3 (15 de abril de 2019): 790–96. http://dx.doi.org/10.37358/rc.19.3.7008.
Texto completoSaeed, Mohd, Amir Saeed, Md Jahoor Alam y Mousa Alreshidi. "Receptor-Based Pharmacophore Modeling in the Search for Natural Products for COVID-19 Mpro". Molecules 26, n.º 6 (11 de marzo de 2021): 1549. http://dx.doi.org/10.3390/molecules26061549.
Texto completoAgrawal, Neetu. "Pharmacophore modeling and 3D-QSAR studies of 2,4-disubstituted pyrimidine derivatives as Janus kinase 3 inhibitors". Journal of Theoretical and Computational Chemistry 19, n.º 01 (febrero de 2020): 2050001. http://dx.doi.org/10.1142/s0219633620500017.
Texto completoNncube, Nomagugu B., Pritika Ramharack y Mahmoud E. S. Soliman. "Using bioinformatics tools for the discovery of Dengue RNA-dependent RNA polymerase inhibitors". PeerJ 6 (25 de septiembre de 2018): e5068. http://dx.doi.org/10.7717/peerj.5068.
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