Results 31 to 40 of about 390,146 (300)

Similarity-based data mining in files of two-dimensional chemical structures using fingerprint measures of molecular resemblance [PDF]

, 2011
This paper reviews the use of measures of intermolecular similarity for processing databases of chemical structures, which play an important role in the discovery of new drugs by the pharmaceutical industry.
Willett, P.
core   +1 more source

Exploring lipid diversity and minimalism to define membrane requirements for synthetic cells

FEBS Letters, EarlyView.
Designing the lipid membrane of synthetic cells is a complex task, in which its various roles (among them solute transport, membrane protein support, and self‐replication) should all be integrated. In this review, we report the latest top‐down and bottom‐up advances and discuss compatibility and complexity issues of current engineering approaches ...
Sergiy Gan, Victoria Scarpelli, Marten Exterkate   +2 more
wiley   +1 more source

New trends for metal complexes with anticancer activity [PDF]

, 2008
Medicinal inorganic chemistry can exploit the unique properties of metal ions for the design of new drugs. This has, for instance, led to the clinical application of chemotherapeutic agents for cancer treatment, such as cisplatin. The use of cisplatin is,
Ang, Ang, Barnard, Barnes, Bednarski, Bergamo, Bregman, Calderone, Casini, Debreczeni, Dixon, Dyson, Failes, Feazell, Guo, Habtemariam, Hall, Hambley, Hannon, Harris, Heringova, Hillard, Hotze, James, Jung, Komeda, Liu, Lutterman, MacDiarmid, Mackay, Mackay, McNae, Meggers, Milacic, Noor, Oleksi, Orvig, Ott, Pascu, Peacock, Peter J Sadler, Pieter CA Bruijnincx, Reed, Schatzschneider, Schlawe, Scolaro, Smalley, Sun, Thompson, Timerbaev, Urig, Urig, van Zutphen, Wang, Weidt, Yan, Yang   +56 more
core   +1 more source

Microbial exopolysaccharide production by polyextremophiles in the adaptation to multiple extremes

FEBS Letters, EarlyView.
Polyextremophiles are microorganisms that endure multiple extreme conditions by various adaptation strategies that also include the production of exopolysaccharides (EPSs). This review provides an integrated perspective on EPS biosynthesis, function, and regulation in these organisms, emphasizing their critical role in survival and highlighting their ...
Tracey M Gloster, Ebru Toksoy Öner
wiley   +1 more source

Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–6

Molecules, 2019
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of Editorials that is published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules [...]
Jean Jacques Vanden Eynde, Arduino A. Mangoni, Jarkko Rautio, Jérôme Leprince, Yasu-Taka Azuma, Alfonso T. García-Sosa, Christopher Hulme, Josef Jampilek, Rafik Karaman, Wei Li, Paula A. C. Gomes, Dimitra Hadjipavlou-Litina, Raffaele Capasso, Athina Geronikaki, Laura Cerchia, Jean-Marc Sabatier, Rino Ragno, Tiziano Tuccinardi, Andrea Trabocchi, Jean-Yves Winum, F. Javier Luque, Katalin Prokai-Tatrai, Mariana Spetea, Michael Gütschow, Ivan Kosalec, Catherine Guillou, M. Helena Vasconcelos, George Kokotos, Giulio Rastelli, Maria Emília de Sousa, Clementina Manera, Sandra Gemma, Stefano Mangani, Carlo Siciliano, Stefania Galdiero, Hong Liu, Peter J. H. Scott, Cristóbal de los Ríos, Luigi A. Agrofoglio, Simona Collina, Rita C. Guedes, Diego Muñoz-Torrero   +41 more
doaj   +1 more source

Molecular Filters in Medicinal Chemistry

Encyclopedia, 2023
Efficient chemical library design for high-throughput virtual screening and drug design requires a pre-screening filter pipeline capable of labeling aggregators, pan-assay interference compounds (PAINS), and rapid elimination of swill (REOS); identifying
Sebastjan Kralj, Marko Jukič, Urban Bren   +2 more
doaj   +1 more source

Penetration enhancing effect of phytoceramides [PDF]

, 2012
Ceramides are essential components in the stratum corneum barrier function. Different classes of ceramides are present in human skin, differing in the nature of sphingosine and acyl moieties with respect to chain length, degree of saturation and the ...
Boonen, Jente, De Spiegeleer, Bart, Guillaume, Joren, Risseeuw, Martijn, Van Calenbergh, Serge, Veryser, Lieselotte   +5 more
core   +1 more source

Mechanistic basis for inhibition of the extended‐spectrum β‐lactamase GES‐1 by enmetazobactam and tazobactam

FEBS Letters, EarlyView.
Antimicrobial resistance (AMR) is of huge importance, resulting in over 1 million deaths each year. Here, we describe how a new drug, enmetazobactam, designed to help fight resistant bacterial diseases, inhibits a key enzyme (GES‐1) responsible for AMR. Our data show it is a more potent inhibitor than the related tazobactam, with high‐level computation
Michael Beer, Philip Hinchliffe, Marko Hanževački, Christopher R. Bethel, Catherine L. Tooke, Marc W. Van der Kamp, Krisztina M. Papp‐Wallace, Robert A. Bonomo, Stuart Shapiro, Adrian J. Mulholland, James Spencer   +10 more
wiley   +1 more source

Assessing the impact of clinically relevant medicinal chemistry teaching: Learning gains from case study approach [PDF]

Brazilian Journal of Pharmaceutical Sciences
Considering the unique role of medicinal chemistry in the pharmacists’ formation, in this work we assessed the impact of medicinal chemistry teaching on the interpretation of a clinical situation using statistical and learning gain analysis.
Fernanda Domingues Lustoza, João Paulo S. Fernandes   +1 more
doaj   +1 more source

Similarity-based virtual screening using 2D fingerprints [PDF]

, 2006
This paper summarises recent work at the University of Sheffield on virtual screening methods that use 2D fingerprint measures of structural similarity. A detailed comparison of a large number of similarity coefficients demonstrates that the well-known ...
Willett, P.
core   +1 more source