Articoli di riviste sul tema "Minimal pharmacophores"
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Mortier, Jérémie, Pratik Dhakal e Andrea Volkamer. "Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces". Molecules 23, n. 8 (6 agosto 2018): 1959. http://dx.doi.org/10.3390/molecules23081959.
Petrikaite, Vilma, Eduardas Tarasevišius e Alvydas Pavilonis. "New ethacridine derivatives as the potential antifungal and antibacterial preparations". Medicina 43, n. 8 (11 agosto 2007): 657. http://dx.doi.org/10.3390/medicina43080084.
Spasov, Alexander, Irina Ovchinnikova, Olga Fedorova, Yulia Titova, Denis Babkov, Vadim Kosolapov, Alexander Borisov et al. "Amino Derivatives of Diaryl Pyrimidines and Azolopyrimidines as Protective Agents against LPS-Induced Acute Lung Injury". Molecules 28, n. 2 (11 gennaio 2023): 741. http://dx.doi.org/10.3390/molecules28020741.
Mishra, Pranjali, Muskan Srivastav, Yashveer Gautam, Monal Singh, Neeraj Verma, Deepak S. Kapkoti, Shailendra P. Singh, Anil K. Singh e Devendra P. Rao. "A REVIEW IN CURCUMINOIDS: CHEMISTRY, ANTICANCER ACTIVITY AND FUTURE PROSPECTS". INDIAN DRUGS 61, n. 05 (28 maggio 2024): 7–23. http://dx.doi.org/10.53879/id.61.05.14041.
Maatuf, Yossi, Matan Geron e Avi Priel. "The Role of Toxins in the Pursuit for Novel Analgesics". Toxins 11, n. 2 (23 febbraio 2019): 131. http://dx.doi.org/10.3390/toxins11020131.
Wermelinger, Guilherme Freimann, Lucas Rubini, Anna Carolina Carvalho da Fonseca, Gabriel Ouverney, Rafael P. R. F. de Oliveira, Acácio S. de Souza, Luana S. M. Forezi, Gabriel Limaverde-Sousa, Sergio Pinheiro e Bruno Kaufmann Robbs. "A Novel MDM2-Binding Chalcone Induces Apoptosis of Oral Squamous Cell Carcinoma". Biomedicines 11, n. 6 (14 giugno 2023): 1711. http://dx.doi.org/10.3390/biomedicines11061711.
Bourne, Yves, Gerlind Sulzenbacher, Laurent Chabaud, Rómulo Aráoz, Zoran Radić, Sandrine Conrod, Palmer Taylor, Catherine Guillou, Jordi Molgó e Pascale Marchot. "The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism". Marine Drugs 22, n. 4 (27 marzo 2024): 149. http://dx.doi.org/10.3390/md22040149.
Caldas Lopes, Eloisi, Shieh Jae-Hung, Srikanth Ambati, Su Tsann-Long, Fabian Correa, Elizabeth Peguero e Malcolm A. S. Moore. "Novel Alkylating Agent, Ureidomustine Exhibit Pre-Clinical Efficacy in B-Cell Lymphoma with Minimal Dose-Limiting Myelotoxicity". Blood 126, n. 23 (3 dicembre 2015): 1556. http://dx.doi.org/10.1182/blood.v126.23.1556.1556.
Vawhal, Pallavi Kishor, Shailaja B. Jadhav, Sumit Kaushik, Kahnu Charan Panigrahi, Chandan Nayak, Humaira Urmee, Sharuk L. Khan et al. "Coumarin-Based Sulfonamide Derivatives as Potential DPP-IV Inhibitors: Pre-ADME Analysis, Toxicity Profile, Computational Analysis, and In Vitro Enzyme Assay". Molecules 28, n. 3 (19 gennaio 2023): 1004. http://dx.doi.org/10.3390/molecules28031004.
Robertson, Gregory T., Eric J. Bonventre, Timothy B. Doyle, Qun Du, Leonard Duncan, Timothy W. Morris, Eric D. Roche, Dalai Yan e A. Simon Lynch. "In Vitro Evaluation of CBR-2092, a Novel Rifamycin-Quinolone Hybrid Antibiotic: Microbiology Profiling Studies with Staphylococci and Streptococci". Antimicrobial Agents and Chemotherapy 52, n. 7 (luglio 2008): 2324–34. http://dx.doi.org/10.1128/aac.01651-07.
Cheng, Jeffrey, Enming Xing, Shabber Mohammed, Emma Montgomery, Lauren Granchie, Christopher Coss e Pui-Kai Li. "Abstract 3106: Design, synthesis, and screening of niclosamide analogs as androgen receptor degraders for hepatocellular carcinoma". Cancer Research 83, n. 7_Supplement (4 aprile 2023): 3106. http://dx.doi.org/10.1158/1538-7445.am2023-3106.
Alhadrami, Hani A., Ahmed M. Sayed, Heba Al-Khatabi, Nabil A. Alhakamy e Mostafa E. Rateb. "Scaffold Hopping of α-Rubromycin Enables Direct Access to FDA-Approved Cromoglicic Acid as a SARS-CoV-2 MPro Inhibitor". Pharmaceuticals 14, n. 6 (5 giugno 2021): 541. http://dx.doi.org/10.3390/ph14060541.
Osborne, Joseph, Naveed Hassan Akhtar, Shankar Vallabhajosula, Anastasia Nikolopoulou, Kevin P. Maresca, Shawn M. Hillier, John L. Joyal et al. "Tc-99m labeled small-molecule inhibitors of prostate-specific membrane antigen (PSMA): New molecular imaging probes to detect metastatic prostate adenocarcinoma (PC)." Journal of Clinical Oncology 30, n. 5_suppl (10 febbraio 2012): 173. http://dx.doi.org/10.1200/jco.2012.30.5_suppl.173.
Hall, Ronald G., Jotam Pasipanodya, William C. Putnam, John Griswold, Sharmila Dissanaike, Raja Reddy Kallem, Vindhya Edpuganti e Indhumathy Subramaniyan. "1319. Pharmacokinetics of Ceftolozane/Tazobactam in Patients with Burns". Open Forum Infectious Diseases 7, Supplement_1 (1 ottobre 2020): S670—S671. http://dx.doi.org/10.1093/ofid/ofaa439.1501.
Schlitzer, Martin, Labaniel Rodriguez e Peter F. Kador. "Synthesis of potential aldose reductase inhibitors based on minimal pharmacophore requirements". Journal of Pharmacy and Pharmacology 53, n. 6 (giugno 2001): 831–39. http://dx.doi.org/10.1211/0022357011776180.
Papke, Roger L., Kinga Chojnacka e Nicole A. Horenstein. "The Minimal Pharmacophore for Silent Agonism of the α7 Nicotinic Acetylcholine Receptor". Journal of Pharmacology and Experimental Therapeutics 350, n. 3 (2 luglio 2014): 665–80. http://dx.doi.org/10.1124/jpet.114.215236.
Magnin, David R., Prakash C. Taunk, James G. Robertson, Aiying Wang, Jovita Marcinkeviciene, Mark S. Kirby e Lawrence G. Hamann. "Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1". Bioorganic & Medicinal Chemistry Letters 16, n. 6 (marzo 2006): 1731–34. http://dx.doi.org/10.1016/j.bmcl.2005.11.098.
Johnston, Alexis, e Adegboyega K. Oyelere. "Abstract 4492: Deferiprone optimization for the treatment of triple-negative breast cancer". Cancer Research 84, n. 6_Supplement (22 marzo 2024): 4492. http://dx.doi.org/10.1158/1538-7445.am2024-4492.
Cruz, María del Carmen, María Salazar, Yésica Garciafigueroa, Dolores Hernández, Francisco Díaz, Germán Chamorro e Joaquín Tamariz. "Hypolipidemic Activity of New Phenoxyacetic Derivatives Related to α-Asarone with Minimal Pharmacophore Features". Drug Development Research 60, n. 3 (3 ottobre 2003): 186–95. http://dx.doi.org/10.1002/ddr.10281.
Bjij, Imane, Pritika Ramharack, Shama Khan, Driss Cherqaoui e Mahmoud E. S. Soliman. "Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling". Molecules 24, n. 17 (28 agosto 2019): 3125. http://dx.doi.org/10.3390/molecules24173125.
Wood, Daniel J., J. Daniel Lopez-Fernandez, Leanne E. Knight, Islam Al-Khawaldeh, Conghao Gai, Shengying Lin, Mathew P. Martin et al. "FragLites—Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation". Journal of Medicinal Chemistry 62, n. 7 (12 marzo 2019): 3741–52. http://dx.doi.org/10.1021/acs.jmedchem.9b00304.
Ostash, Bohdan, Emma Doud e Victor Fedorenko. "The molecular biology of moenomycins: towards novel antibiotics based on inhibition of bacterial peptidoglycan glycosyltransferases". Biological Chemistry 391, n. 5 (1 maggio 2010): 499–504. http://dx.doi.org/10.1515/bc.2010.053.
Gozalbes, Rafael, Silvia Mosulén, Rodrigo J. Carbajo e Antonio Pineda-Lucena. "Development and NMR validation of minimal pharmacophore hypotheses for the generation of fragment libraries enriched in heparanase inhibitors". Journal of Computer-Aided Molecular Design 23, n. 8 (7 maggio 2009): 555–69. http://dx.doi.org/10.1007/s10822-009-9269-0.
Ladouceur, Gaétan, Dale E. Mais, Joseph A. Jakubowski, Barbara G. Utterback e David W. Robertson. "Structural homologies among thromboxane (TXA2) receptor antagonists: Minimal pharmacophoric requirements for high affinity interaction with TXA2 receptors". Bioorganic & Medicinal Chemistry Letters 1, n. 3 (gennaio 1991): 173–78. http://dx.doi.org/10.1016/s0960-894x(01)80794-0.
Mittal, Ravi K., e Priyank Purohit. "Quinoline-3-carboxylate Derivatives: A New Hope as an Antiproliferative Agent". Anti-Cancer Agents in Medicinal Chemistry 20, n. 16 (5 novembre 2020): 1981–91. http://dx.doi.org/10.2174/1871520620666200619175906.
Khomutov, Maxim A., Fabio Giovannercole, Laura Onillon, Marija V. Demiankova, Byazilya F. Vasilieva, Arthur I. Salikhov, Sergey N. Kochetkov, Olga V. Efremenkova, Alex R. Khomutov e Daniela De Biase. "A Desmethylphosphinothricin Dipeptide Derivative Effectively Inhibits Escherichia coli and Bacillus subtilis Growth". Biomolecules 13, n. 10 (26 settembre 2023): 1451. http://dx.doi.org/10.3390/biom13101451.
Demeter, David A., Herschel J. R. Weintraub e James J. Knittel. "The Local Minima Method (LMM) of Pharmacophore Determination: A Protocol for Predicting the Bioactive Conformation of Small, Conformationally Flexible Molecules". Journal of Chemical Information and Computer Sciences 38, n. 6 (novembre 1998): 1125–36. http://dx.doi.org/10.1021/ci980404z.
Ji, Haitao, Benjamin Z. Stanton, Jotaro Igarashi, Huiying Li, Pavel Martásek, Linda J. Roman, Thomas L. Poulos e Richard B. Silverman. "Minimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase Inhibitors". Journal of the American Chemical Society 130, n. 12 (marzo 2008): 3900–3914. http://dx.doi.org/10.1021/ja0772041.
Rasaeifar, Bahareh, Patricia Gomez-Gutierrez e Juan J. Perez. "New Insights into the Stereochemical Requirements of the Bombesin BB1 Receptor Antagonists Binding". Pharmaceuticals 13, n. 8 (17 agosto 2020): 197. http://dx.doi.org/10.3390/ph13080197.
Martinenghi, Laura Daniela, Rie Jønsson, Torben Lund e Håvard Jenssen. "Isolation, Purification, and Antimicrobial Characterization of Cannabidiolic Acid and Cannabidiol from Cannabis sativa L." Biomolecules 10, n. 6 (12 giugno 2020): 900. http://dx.doi.org/10.3390/biom10060900.
Ezekiel, Olugbogi A., Arobadade A. Oluwaotbiloba, Balogun A. Samuel, Adelakun G. Oluwatosin, Maduike N. Mary, Fadeju T. Rasheedat, Kayode O. Yetunde et al. "Application of In-silico Methodologies in Exploring the Antagonistic Potential of Trigonella frenum-graecum on Cyclooxygenase-2 (Cox-2) in Cancer Treatment". IPS Journal of Molecular Docking Simulations 2, n. 1 (15 settembre 2023): 26–36. http://dx.doi.org/10.54117/ijmds.v2i1.20.
Zapata-Acevedo, César A., e Paul L. A. Popelier. "The IQA Energy Partition in a Drug Design Setting: A Hepatitis C Virus RNA-Dependent RNA Polymerase (NS5B) Case Study". Pharmaceuticals 15, n. 10 (8 ottobre 2022): 1237. http://dx.doi.org/10.3390/ph15101237.
Ma’arif, Burhan, Faisal Akhmal Muslikh, Luqman Alfani Najib, Ria Ramadhani Dwi Atmaja e Meilina Ratna Dianti. "In Silico Antiosteoporosis Activity of 96% Ethanol Extract of Chrysophyllum cainito L. Leaves". Proceedings of International Pharmacy Ulul Albab Conference and Seminar (PLANAR) 1 (5 dicembre 2021): 61. http://dx.doi.org/10.18860/planar.v1i0.1460.
Motsilanyane, Andrew Rabontsi, Zimbili Mkhize e Sphelele Sosibo. "Computational Studies for Selected Medicinal Plants against Dolutegravir using Ligand Based Pharmacophore, Molecular Docking, ADMET Predictionsand Molecular Dynamics Simulation". Pakistan Journal of Medical and Health Sciences 16, n. 1 (30 gennaio 2022): 927–36. http://dx.doi.org/10.53350/pjmhs22161927.
Francesconi, Valeria, Elena Cichero, Evgeny V. Kanov, Erik Laurini, Sabrina Pricl, Raul R. Gainetdinov e Michele Tonelli. "Novel 1-Amidino-4-Phenylpiperazines as Potent Agonists at Human TAAR1 Receptor: Rational Design, Synthesis, Biological Evaluation and Molecular Docking Studies". Pharmaceuticals 13, n. 11 (14 novembre 2020): 391. http://dx.doi.org/10.3390/ph13110391.
McBride, Molly J., Sarah R. Pope, Kai Hu, C. Denise Okafor, Emily P. Balskus, J. Martin Bollinger e Amie K. Boal. "Structure and assembly of the diiron cofactor in the heme-oxygenase–like domain of the N-nitrosourea–producing enzyme SznF". Proceedings of the National Academy of Sciences 118, n. 4 (19 gennaio 2021): e2015931118. http://dx.doi.org/10.1073/pnas.2015931118.
Zhou, Heyang, Niao Yang, Wei Li, Xuemi Peng, Jiaxiao Dong, Yuanying Jiang, Lan Yan, Dazhi Zhang e Yongsheng Jin. "Exploration of Baicalein-Core Derivatives as Potent Antifungal Agents: SAR and Mechanism Insights". Molecules 28, n. 17 (30 agosto 2023): 6340. http://dx.doi.org/10.3390/molecules28176340.
Hasan, Md Rifat, Ahad Amer Alsaiari, Burhan Zain Fakhurji, Mohammad Habibur Rahman Molla, Amer H. Asseri, Md Afsar Ahmed Sumon, Moon Nyeo Park, Foysal Ahammad e Bonglee Kim. "Application of Mathematical Modeling and Computational Tools in the Modern Drug Design and Development Process". Molecules 27, n. 13 (29 giugno 2022): 4169. http://dx.doi.org/10.3390/molecules27134169.
Raghuvanshi, Rinky, e Sandip B. Bharate. "Preclinical and Clinical Studies on Bryostatins, A Class of Marine-Derived Protein Kinase C Modulators: A Mini-Review". Current Topics in Medicinal Chemistry 20, n. 12 (1 giugno 2020): 1124–35. http://dx.doi.org/10.2174/1568026620666200325110444.
Hao, Wenhui, Shiying Che, Jinsheng Li, Jingyi Luo, Wanqiu Zhang, Yang Chen, Zijian Zhao, Hao Wei e Weidong Xie. "Synthesis of Berberine and Canagliflozin Chimera and Investigation into New Antibacterial Activity and Mechanisms". Molecules 27, n. 9 (5 maggio 2022): 2948. http://dx.doi.org/10.3390/molecules27092948.
Ting, Jasmine U., Maria Carmen S. Tan, Vincent Antonio S. Ng, Stephani Joy Y. Macalino, Virgilio C. Linis e Glenn G. Oyong. "Molecular Simulations of Unexplored Philippine Plant Constituents on the Inhibition of the Proinflammatory Marker NF-κB p50 Subunit". Crystals 14, n. 5 (4 maggio 2024): 438. http://dx.doi.org/10.3390/cryst14050438.
Branco, Jessica R., Vanessa G. Oliveira, Amanda M. Esteves, Ingrid C. Chipoline, Miriam F. O. Lima, Fernanda C. S. Boechat, Fernando C. da Silva et al. "A Novel Naphthotriazolyl-4-oxoquinoline Derivative that Selectively Controls Breast Cancer Cells Survival Through the Induction of Apoptosis". Current Topics in Medicinal Chemistry 18, n. 17 (26 novembre 2018): 1465–74. http://dx.doi.org/10.2174/1568026618666180821142458.
Lomovskaya, Olga, Kirk J. Nelson e Debora Rubio-Aparicio. "727. Potency of the β-Lactamase Inhibitor QPX7728 Is Minimally Affected by KPC Mutations that Reduce Potency of Ceftazidime–Avibactam". Open Forum Infectious Diseases 6, Supplement_2 (ottobre 2019): S326. http://dx.doi.org/10.1093/ofid/ofz360.795.
Sokolova, K. V., V. V. Stavytskyi, S. О. Konovalova, O. A. Podpletnya, S. I. Kovalenko e A. P. Avdeenko. "Design and search for prospective diuretics (CA II Inhibitors) among aroylhydrazones of esters quinone oxime using in silico and in vivo methodology". Medicni perspektivi 27, n. 4 (29 dicembre 2022): 27–37. http://dx.doi.org/10.26641/2307-0404.2022.4.271120.
Sacco, Antonio, Cinzia Federico, Arianna Giacomini, Cinzia Caprio, Federica Maccarinelli, Katia Todoerti, Vanessa Favasuli et al. "FGF/FGFR Axis-Blockade Leads to Anti-Tumor Activity in Waldenstrom's Macroglobulinemia By Silencing MYD88". Blood 136, Supplement 1 (5 novembre 2020): 43–44. http://dx.doi.org/10.1182/blood-2020-136523.
Luthra, Pratibha Mehta, e Nitin Kumar. "Progress and development of C-3, C-6, and N-9 position substituted carbazole integrated molecular hybrid molecules as potential anticancer agents". Mini-Reviews in Medicinal Chemistry 21 (21 maggio 2021). http://dx.doi.org/10.2174/1389557521666210521221808.
Whitehouse, Rebecca L., Wesam S. Alwan, Olga V. Ilyichova, Ashley J. Taylor, Indu R. Chandrashekaran, Biswaranjan Mohanty, Bradley C. Doak e Martin J. Scanlon. "Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores". RSC Medicinal Chemistry, 2022. http://dx.doi.org/10.1039/d2md00253a.
Singh, Shailja, e Shrawan Kumar Mangawa. "Ferrocene Derivatives as New Generation of Antimalarial Agents: Opportunity or Illusion?" Current Topics in Medicinal Chemistry 23 (28 febbraio 2023). http://dx.doi.org/10.2174/1568026623666230228153114.
Kayastha, Forum, Noah B. Herrington, Bandish Kapadia, Anirban Roychowdhury, Nahid Nanaji, Glen E. Kellogg e Ronald B. Gartenhaus. "Novel eIF4A1 inhibitors with anti‐tumor activity in lymphoma". Molecular Medicine 28, n. 1 (4 settembre 2022). http://dx.doi.org/10.1186/s10020-022-00534-0.
Rath, Santosh Kumar, Sudip Kumar Mandal, Agnidipta Das, Anindya Bose, Vagish Dwibedi, Paramita Ganguly, Sipra Sarkar, Ranjana Prakash, Biplab Kumar Dey e Sanjeet Mandal. "Hetero Cyclic Compounds in the Treatment of Triple-Negative Breast Cancer". Current Cancer Therapy Reviews 19 (30 dicembre 2022). http://dx.doi.org/10.2174/1573394719666221230111838.