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1601“…The isolation and identification of an increasing number of secondary metabolites featuring unique skeletons and possessing diverse bioactivities sourced from marine microorganisms have garnered the interest of numerous natural product chemists. There has been a growing emphasis on how to cultivate microorganisms to enhance the chemical diversity of metabolites and avoid the rediscovery of known ones. …”
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1602por Ishfaq, Muhammad, Halawa, Mohamed Ibrahim, Ahmad, Ashfaq, Rasool, Aamir, Manzoor, Robina, Ullah, Kaleem, Guan, Yurong“…A meticulous selection process identified the most promising compounds, and their potential for synthesis was assessed, offering valuable guidance to experimental chemists in their investigative endeavors. Furthermore, fingerprint and heatmap analysis were conducted to evaluate the chemical similarity among the selected compounds. …”
Publicado 2023
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1603por Wishart, David S., Tzur, Dan, Knox, Craig, Eisner, Roman, Guo, An Chi, Young, Nelson, Cheng, Dean, Jewell, Kevin, Arndt, David, Sawhney, Summit, Fung, Chris, Nikolai, Lisa, Lewis, Mike, Coutouly, Marie-Aude, Forsythe, Ian, Tang, Peter, Shrivastava, Savita, Jeroncic, Kevin, Stothard, Paul, Amegbey, Godwin, Block, David, Hau, David. D., Wagner, James, Miniaci, Jessica, Clements, Melisa, Gebremedhin, Mulu, Guo, Natalie, Zhang, Ying, Duggan, Gavin E., MacInnis, Glen D., Weljie, Alim M., Dowlatabadi, Reza, Bamforth, Fiona, Clive, Derrick, Greiner, Russ, Li, Liang, Marrie, Tom, Sykes, Brian D., Vogel, Hans J., Querengesser, Lori“…The HMDB is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, nutritionists and members of the metabolomics community. …”
Publicado 2007
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1604por Velankar, Sameer, Alhroub, Younes, Alili, Anaëlle, Best, Christoph, Boutselakis, Harry C., Caboche, Ségolène, Conroy, Matthew J., Dana, Jose M., van Ginkel, Glen, Golovin, Adel, Gore, Swanand P., Gutmanas, Aleksandras, Haslam, Pauline, Hirshberg, Miriam, John, Melford, Lagerstedt, Ingvar, Mir, Saqib, Newman, Laurence E., Oldfield, Tom J., Penkett, Chris J., Pineda-Castillo, Jorge, Rinaldi, Luana, Sahni, Gaurav, Sawka, Grégoire, Sen, Sanchayita, Slowley, Robert, Sousa da Silva, Alan Wilter, Suarez-Uruena, Antonio, Swaminathan, G. Jawahar, Symmons, Martyn F., Vranken, Wim F., Wainwright, Michael, Kleywegt, Gerard J.“…PDBe has developed a browser to access and analyze the structural archive using classification systems that are familiar to chemists and biologists. The PDBe web pages that describe individual PDB entries have been enhanced through the introduction of plain-English summary pages and iconic representations of the contents of an entry (PDBprints). …”
Publicado 2011
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1605por Madej, Thomas, Addess, Kenneth J., Fong, Jessica H., Geer, Lewis Y., Geer, Renata C., Lanczycki, Christopher J., Liu, Chunlei, Lu, Shennan, Marchler-Bauer, Aron, Panchenko, Anna R., Chen, Jie, Thiessen, Paul A., Wang, Yanli, Zhang, Dachuan, Bryant, Stephen H.“…It links protein 3D structure data with sequence data, sequence classification resources and PubChem, a repository of small-molecule chemical structures and their biological activities, facilitating access to 3D structure data not only for structural biologists, but also for molecular biologists and chemists. MMDB provides a complete set of detailed and pre-computed structural alignments obtained with the VAST algorithm, and provides visualization tools for 3D structure and structure/sequence alignment via the molecular graphics viewer Cn3D. …”
Publicado 2012
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1606“…In performing these optimizations, it is useful to look at as many known inhibitors as possible for guidance. Medicinal chemists often seek to improve potency by altering certain chemical moieties of known/endogenous ligands while retaining those critical for binding. …”
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1607por Shameli, Kamyar, Ahmad, Mansor Bin, Zamanian, Ali, Sangpour, Parvanh, Shabanzadeh, Parvaneh, Abdollahi, Yadollah, Zargar, Mohsen“…Metallic nanoparticles have received great attention from chemists, physicists, biologists, and engineers who wish to use them for the development of a new-generation of nanodevices. …”
Publicado 2012
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1608“…The properties of the cerium metal have intrigued physicists and chemists for many decades. In particular a lot of attention has been directed towards its high pressure behavior, where an isostructural volume collapse (γ phase → α phase) has been observed. …”
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1609por Anguebes, Francisco, Pat, Lucio, Ali, Bassam, Guerrero, Armando, Córdova, Atl V., Abatal, Mohamed, Garduza, José P.“…The reference values of 189 honey samples of different botanical origin were determined using Association Official Analytical Chemists, (AOAC), 1990; Codex Alimentarius, 2001, International Honey Commission, 2002, methods. …”
Publicado 2016
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1610por Blank, Fabian, Fytianos, Kleanthis, Seydoux, Emilie, Rodriguez-Lorenzo, Laura, Petri-Fink, Alke, von Garnier, Christophe, Rothen-Rutishauser, Barbara“…The safe-by-design and characterization of such NPs requires well coordinated interdisciplinary research uniting engineers, chemists biologists and respiratory physicians. In this review we will focus on in vivo data available to facilitate the design of nanocarrier-based strategies using NPs to modulate pulmonary immune responses.…”
Publicado 2017
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1611por Crawford, Sarah E., Hartung, Thomas, Hollert, Henner, Mathes, Björn, van Ravenzwaay, Bennard, Steger-Hartmann, Thomas, Studer, Christoph, Krug, Harald F.“…However, this is only possible if toxicologists and chemists work together early on in the development of materials and chemicals to utilize safe design strategies and innovative in vitro and in silico tools. …”
Publicado 2017
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1612por Ramin, Pedram, Valverde-Pérez, Borja, Polesel, Fabio, Locatelli, Luca, Plósz, Benedek Gy.“…This method can also offer a platform to promote a closer interaction between analytical chemists and modellers to identify models for biochemical transformation pathways, being a prominent example for the emerging field of wastewater-based epidemiology.…”
Publicado 2017
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1613por Venkanna, Arramshetti, Kwon, Oh Wook, Afzal, Sualiha, Jang, Cheongyun, Cho, Kyo Hee, Yadav, Dharmendra K., Kim, Kang, Park, Hyeung-geun, Chun, Kwang-Hoon, Kim, Sun Yeou, Kim, Mi-hyun“…However, regardless of the main strategy, chemists really wonder how to maximize the utility of their new compounds by drug repositioning them as clinical drug candidates in drug discovery. …”
Publicado 2017
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1614por Aouidate, Adnane, Ghaleb, Adib, Ghamali, Mounir, Chtita, Samir, Ousaa, Abdellah, Choukrad, M’barek, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar“…CONCLUSIONS: This approach can be easily handled by chemists, to distinguish, which ones among the future designed aminooxadiazoles structures could be lead-like and those that couldn’t be, thus, they can be eliminated in the early stages of drug discovery process. …”
Publicado 2018
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1615“…As a result, the research involving bioactive glasses is highly stimulating and requires a cross-disciplinary collaboration among glass chemists, bioengineers, and clinicians. The present article provides a picture of the current clinical applications of bioactive glasses, and depicts six relevant challenges deserving to be tackled in the near future. …”
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1616“…QSAR and molecular docking studies provide valuable approach for pharmaceutical and medicinal chemists to design and synthesize new anti-Mycobacterium tuberculosis compounds.…”
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1617por Wrzesień, Małgorzata“…The maximum estimated annual Hp(0.07) for chemists from the quality control department can exceed the annual skin limit dose (500 mSv). …”
Publicado 2018
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1618“…It is currently common practice among medicinal chemists while attempting the above to access the information contained in three-dimensional structures by using two-dimensional projections, which can preclude disclosure of useful features. …”
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1619por Bonyhady, Simon J., Collis, David, Holzmann, Nicole, Edwards, Alison J., Piltz, Ross O., Frenking, Gernot, Stasch, Andreas, Jones, Cameron“…Despite this, stable aluminium hydride analogues of these species have remained staunchly elusive to synthetic chemists. Here, we report that reductions of an amidinato-aluminium(III) hydride complex with magnesium(I) dimers lead to unprecedented examples of stable aluminium(I) hydride complexes, [((Ar)Nacnac)Mg](2)[Al(6)H(6)(Fiso)(2)] ((Ar)Nacnac = [HC(MeCNAr)(2)](−), Ar = C(6)H(2)Me(3)-2,4,6 Mes; C(6)H(3)Et(2)-2,6 Dep or C(6)H(3)Me(2)-2,6 Xyl; Fiso = [HC(NDip)(2)](−), Dip = C(6)H(3)Pr(i)(2)-2,6), which crystallographic and computational studies show to possess near neutral, octahedral hypercloso-hexaalane, Al(6)H(6), cluster cores. …”
Publicado 2018
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1620por McCloud, Thomas G.“…Plant specimens and microbial ferments are extracted by modified traditional methods, while the method developed to produce extracts from marine organisms is unique and very different from that used by marine natural products chemists previously, but again yields both an organic solvent soluble and a water soluble material for inclusion into the screening library. …”
Publicado 2010
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