Skip NavigationSkip to Content

NCI at Frederick Scientific Publications Advanced Search

Search

  1. NCI-F Publications

  2. Return to Quick Search
Search
  2. Year Published:

Your search returned 29 results.
User Information
Export Records
  1. 1.   Design, Synthesis and Biological Evaluation of 2-Phenyl Indole Analogues of OXi8006 as Colchicine Site Inhibitors of Tubulin Polymerization and Vascular Disrupting Agents
  2. Vairin, Rebecca; Tamminga, Caleb; Shi, Zhe; Borchardt, Christian; Jambulapati, Jayaram; Bai, Ruoli; Wanniarachchi, Hashini; Bueno, Lorena; Hamel,Ernest; Mason, Ralph P; Trawick, Mary Lynn; Pinney, Kevin G
  3. Bioorganic & Medicinal Chemistry. 2024, Nov 07; 118: 117981.
  1. 2.   Evaluation of the Therapeutic Potential of Sulfonyl Urea Derivatives as Soluble Epoxide Hydrolase (sEH) Inhibitors
  2. Kundu, Biswajit; Dvorácskó, Szabolcs; Basu, Abhishek; Pommerolle, Lenny; Kim, Kyu Ah; Wood, Casey M; Gibbs, Eve; Behee, Madeline; Tarasova,Nadya; Cinar, Resat; Iyer, Malliga R
  3. Molecules (Basel, Switzerland). 2024, Jun 26; 29(13):
  1. 3.   DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking
  2. Balius,Trent; Tan, Y Stanley; Chakrabarti,Mayukh
  3. Journal of Computational Chemistry. 2023, Sep 25;
  1. 4.   Synthesis and biological evaluation of structurally diverse 6-aryl-3-aroyl-indole analogues as inhibitors of tubulin polymerization
  2. Ren, Wen; Deng, Yuling; Ward, Jacob D; Vairin, Rebecca; Bai,Ruoli; Wanniarachchi, Hashini I; Hamal, Khagendra B; Tankoano, Pouguiniseli E; Tamminga, Caleb S; Bueno, Lorena M A; Hamel,Ernest; Mason, Ralph P; Trawick, Mary Lynn; Pinney, Kevin G
  3. European Journal of Medicinal Chemistry. 2023, Sep 06; 263: 115794.
  1. 5.   AI-driven drug repurposing and binding pose meta dynamics identifies novel targets for monkeypox virus
  2. Patel,Chiragkumar; Mall, Raghvendra; Bensmail, Halima
  3. Journal of Infection and Public Health. 2023, Mar 15; 16(5): 799-807.
  1. 6.   Multitarget Potential of Phytochemicals from Traditional Medicinal Tree, Terminalia arjuna (Roxb. ex DC.) Wight & Arnot as Potential Medicaments for Cardiovascular Disease: An In-Silico Approach
  2. Kumar, Vikas; Sharma, Nitin; Orfali, Raha; Patel,Chiragkumar; Alnajjar, Radwan; Saini, Rakshandha; Sourirajan, Anuradha; Khosla, Prem Kumar; Dev, Kamal; Perveen, Shagufta
  3. Molecules (Basel, Switzerland). 2023, Jan 20; 28(3):
  1. 7.   Metabolic Profile, Biotransformation, Docking Studies and Molecular Dynamics Simulations of Bioactive Compounds Secreted by CG3 Strain
  2. Messaoudi, Omar; Sudarman, Enge; Patel,Chiragkumar; Bendahou, Mourad; Wink, Joachim
  3. Antibiotics (Basel, Switzerland). 2022, May 13; 11(5):
  1. 8.   A practical guide to large-scale docking
  2. Bender, Brian J.; Gahbauer, Stefan; Luttens, Andreas; Lyu, Jiankun; Webb, Chase M.; Stein, Reed M.; Fink, Elissa A.; Balius,Trent; Carlsson, Jens; Irwin, John J.; Shoichet, Brian K.
  3. Nature protocols. 2021, Oct; 16(10): 4799-4832.
  1. 9.   Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones
  2. Bortolozzi, Roberta; Carta, Davide; Prà, Matteo Dal; Antoniazzi, Giuseppe; Mattiuzzo, Elena; Sturlese, Mattia; Di Paolo, Veronica; Calderan, Laura; Moro, Stefano; Hamel,Ernest; Quintieri, Luigi; Ronca, Roberto; Viola, Giampietro; Ferlin, Maria Grazia
  3. European journal of medicinal chemistry. 2019, Sep 15; 178: 297-314.
  1. 10.   Synthesis and biological evaluation of indole-2-carbohydrazides and thiazolidinyl-indole-2-carboxamides as potent tubulin polymerization inhibitors
  2. Kazan, Fusun; Yagci, Z Begum; Bai,Ruoli; Ozkirimli, Elif; Hamel,Ernest; Ozkirimli, Sumru
  3. Computational biology and chemistry. 2019, Jun; 80: 512-523.
  1. 11.   3-Aryl/Heteroaryl-5-amino-1-(3',4',5'-trimethoxybenzoyl)-1,2,4-triazoles as antimicrotubule agents. Design, synthesis, antiproliferative activity and inhibition of tubulin polymerization
  2. Romagnoli, Romeo; Prencipe, Filippo; Oliva, Paola; Baraldi, Stefania; Baraldi, Pier Giovanni; Brancale, Andrea; Ferla, Salvatore; Hamel, Ernest; Bortolozzi, Roberta; Viola, Giampietro
  3. Bioorganic chemistry. 2018, Oct; 80: 361-374.
  1. 12.   Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs
  2. Bortolozzi, Roberta; Mattiuzzo, Elena; Dal Pra, Matteo; Sturlese, Mattia; Moro, Stefano; Hamel, Ernest; Carta, Davide; Viola, Giampietro; Ferlin, Maria Grazia
  3. European journal of medicinal chemistry. 2018, Jan 1; 143: 244-258.
  1. 13.   Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs
  2. Bortolozzi, Roberta; Mattiuzzo, Elena; Dal Pra, Matteo; Sturlese, Mattia; Moro, Stefano; Hamel, Ernest; Carta, Davide; Viola, Giampietro; Ferlin, Maria Grazia
  3. European Journal of Medicinal Chemistry. 2018, Jan 01; 143: 244-258.
  1. 14.   Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents
  2. Carta, D.; Bortolozzi, R.; Sturlese, M.; Salmaso, V.; Hamel, Ernest; Basso, G.; Calderan, L.; Quintieri, L.; Moro, S.; Viola, G.; Ferlin, M. G.
  3. European Journal of Medicinal Chemistry. 2017, Feb 15; 127: 643-660.
  1. 15.   Probing Oligomerized Conformations of Defensin in the Membrane.
  2. Gan, Wenxun; Schneidman, Dina; Zhang, Ning; Ma, Buyong; Nussinov, Ruth
  3. Methods in molecular biology (Clifton, N.J.). 2017 1529: 353-362.
  1. 16.   SymmRef: A flexible refinement method for symmetric multimers
  2. Mashiach-Farkash, E.; Nussinov, R.; Wolfson, H. J.
  3. Proteins-Structure Function and Bioinformatics. 2011, Sep; 79(9): 2607-2623.
  1. 17.   Software and resources for computational medicinal chemistry
  2. Liao, C. Z.; Sitzmann, M.; Pugliese, A.; Nicklaus, M. C.
  3. Future Medicinal Chemistry. 2011, Jun; 3(8): 1057-1085.
  1. 18.   An integrated suite of fast docking algorithms
  2. Mashiach, E.; Schneidman-Duhovny, D.; Peri, A.; Shavit, Y.; Nussinov, R.; Wolfson, H. J.
  3. Proteins-Structure Function and Bioinformatics. 2010, Nov; 78(15): 3197-3204.
  1. 19.   Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications
  2. Dror, O.; Schneidman-Duhovny, D.; Inbar, Y.; Nussinov, R.; Wolfson, H. J.
  3. Journal of Chemical Information and Modeling. 2009 49(10): 2333-2343.
  1. 20.   Substitution of Aminomethyl at the Meta-Position Enhances the Inactivation of O-6-Alkylguanine-DNA Alkyltransferase by O-6-Benzylguanine
  2. Pauly, G. T.; Loktionova, N. A.; Fang, Q. M.; Vankayala, S. L.; Guida, W. C.; Pegg, A. E.
  3. Journal of Medicinal Chemistry. 2008 51(22): 7144-7153.
  1. 21.   From structure to function: Methods and applications
  2. Wolfson, H. J.; Shatsky, M.; Schneidman-Duhovny, D.; Dror, O.; Shulman-Peleg, A.; Ma, B. Y.; Nussinov, R.
  3. Current Protein & Peptide Science. 2005, APR; 6(2): 171-183.
  1. 22.   Structure-based discovery of a novel angiotensin converting enzyme 2 inhibitor
  2. Huentelman, M. J.; Zubcevic, J.; Prada, J. A. H.; Xiao, X. D.; Dimitrov, D. S.; Raizada, M. K.; Ostrov, D. A.
  3. Hypertension. 2004, DEC; 44(6): 903-906.
  1. 23.   Structure-based discovery of nonpeptidic small organic compounds to block the T cell response to myelin basic protein
  2. Koehler, N. K. U.; Yang, C. Y.; Varady, J.; Lu, Y. P.; Wu, X. W.; Liu, M.; Yin, D. X.; Bartels, M.; Xu, B. Y.; Roller, P. P.; Long, Y. Q.; Li, P.; Kattah, M.; Cohn, M. L.; Moran, K.; Tilley, E.; Richert, J. R.; Wang, S. M.
  3. Journal of Medicinal Chemistry. 2004, OCT 7; 47(21): 4989-4997.
  1. 24.   Conformationally constrained analogues of diacylglycerol (DAG). 23. Hydrophobic ligand-protein interactions versus ligand-lipid interactions of DAG-lactones with protein kinase C (PK-C)
  2. Tamamura, H.; Sigano, D. M.; Lewin, N. E.; Peach, M. L.; Nicklaus, M. C.; Blumberg, P. M.; Marquez, V. E.
  3. Journal of Medicinal Chemistry. 2004, SEP 23; 47(20): 4858-4864.
  1. 25.   Identification of small molecule inhibitors of anthrax lethal factor
  2. Panchal, R. G.; Hermone, A. R.; Nguyen, T. L.; Wong, T. Y.; Schwarzenbacher, R.; Schmidt, J.; Lane, D.; McGrath, C.; Turk, B. E.; Burnett, J.; Aman, M. J.; Little, S.; Sausville, E. A.; Zaharevitz, D. W.; Cantley, L. C.; Liddington, R. C.; Gussio, R.; Bavari, S.
  3. Nature Structural & Molecular Biology. 2004 11(1): 67-72.
NCI at Frederick

You are leaving a government website.

This external link provides additional information that is consistent with the intended purpose of this site. The government cannot attest to the accuracy of a non-federal site.

Linking to a non-federal site does not constitute an endorsement by this institution or any of its employees of the sponsors or the information and products presented on the site. You will be subject to the destination site's privacy policy when you follow the link.

ContinueCancel