Matches in SemOpenAlex for { <https://semopenalex.org/work/W2967804265> ?p ?o ?g. }
- W2967804265 endingPage "1282" @default.
- W2967804265 startingPage "1269" @default.
- W2967804265 abstract "Introduction: The timely identification biologically active chemicals, in disease relevant screening assays, is a major endeavor in drug discovery. The existence of frequent hitters (FHs) in non-related assays poses a formidable challenge in terms of whether to consider these molecules as chemical gold or promiscuous non-selective reactive trash (also known as PAINS - pan assay interference compounds).Areas covered: In this review, the authors bring together expertize in synthetic chemistry, cheminformatics and biochemistry, three key areas for dealing with FHs. They discuss synthetic methods facilitating preparation of chemically diverse molecular libraries, while favoring activity in the biological space. They also survey and discuss recent computational advances in the prediction of PAINS from chemical structures. Finally, they review experimental approaches for the validation of the biological activity of screening hits and discuss alternatives for exploiting promiscuity and chemical reactivity.Expert opinion: It's essential to develop more efficient computational methods to reliably recognize PAINS in distinct molecular environments. Accordingly, advances in synthetic chemistry hold the promise to provide a better quality of chemical matter for drug discovery. Medicinal chemists should be more open to screening for hits showing biologically complex mechanisms of action rather than discarding molecules that may prove valuable as innovative disease treatments." @default.
- W2967804265 created "2019-08-22" @default.
- W2967804265 creator A5004467695 @default.
- W2967804265 creator A5006487951 @default.
- W2967804265 creator A5056257325 @default.
- W2967804265 creator A5066121341 @default.
- W2967804265 creator A5071012302 @default.
- W2967804265 creator A5073574356 @default.
- W2967804265 creator A5082461699 @default.
- W2967804265 date "2019-08-16" @default.
- W2967804265 modified "2023-10-06" @default.
- W2967804265 title "Dealing with frequent hitters in drug discovery: a multidisciplinary view on the issue of filtering compounds on biological screenings" @default.
- W2967804265 cites W1121361470 @default.
- W2967804265 cites W1676349244 @default.
- W2967804265 cites W1752612204 @default.
- W2967804265 cites W1757990252 @default.
- W2967804265 cites W1963916174 @default.
- W2967804265 cites W1966922056 @default.
- W2967804265 cites W1969293071 @default.
- W2967804265 cites W1971069133 @default.
- W2967804265 cites W1971963414 @default.
- W2967804265 cites W1974229648 @default.
- W2967804265 cites W1981988682 @default.
- W2967804265 cites W1982101530 @default.
- W2967804265 cites W1982393730 @default.
- W2967804265 cites W1984263936 @default.
- W2967804265 cites W1987076173 @default.
- W2967804265 cites W1989917878 @default.
- W2967804265 cites W1989934196 @default.
- W2967804265 cites W1991118597 @default.
- W2967804265 cites W1998168224 @default.
- W2967804265 cites W1999318478 @default.
- W2967804265 cites W2016969958 @default.
- W2967804265 cites W2027087190 @default.
- W2967804265 cites W2031441006 @default.
- W2967804265 cites W2035753075 @default.
- W2967804265 cites W2041341515 @default.
- W2967804265 cites W2043509228 @default.
- W2967804265 cites W2046588282 @default.
- W2967804265 cites W2054012603 @default.
- W2967804265 cites W2059664977 @default.
- W2967804265 cites W2064171940 @default.
- W2967804265 cites W2069126953 @default.
- W2967804265 cites W2074682587 @default.
- W2967804265 cites W2074940029 @default.
- W2967804265 cites W2085111584 @default.
- W2967804265 cites W2089966673 @default.
- W2967804265 cites W2098917806 @default.
- W2967804265 cites W2100449334 @default.
- W2967804265 cites W2111986931 @default.
- W2967804265 cites W2128581376 @default.
- W2967804265 cites W2144615586 @default.
- W2967804265 cites W2150650726 @default.
- W2967804265 cites W2152179597 @default.
- W2967804265 cites W2168587587 @default.
- W2967804265 cites W2170208703 @default.
- W2967804265 cites W2172242534 @default.
- W2967804265 cites W2174991771 @default.
- W2967804265 cites W2196795138 @default.
- W2967804265 cites W2209389195 @default.
- W2967804265 cites W2271027226 @default.
- W2967804265 cites W2321218355 @default.
- W2967804265 cites W2333640990 @default.
- W2967804265 cites W2337652751 @default.
- W2967804265 cites W2342986241 @default.
- W2967804265 cites W2396601579 @default.
- W2967804265 cites W2397609778 @default.
- W2967804265 cites W2436108096 @default.
- W2967804265 cites W2463036497 @default.
- W2967804265 cites W2464288639 @default.
- W2967804265 cites W2464316836 @default.
- W2967804265 cites W2474575800 @default.
- W2967804265 cites W2502356323 @default.
- W2967804265 cites W2519670684 @default.
- W2967804265 cites W2546680320 @default.
- W2967804265 cites W2558999090 @default.
- W2967804265 cites W2560126909 @default.
- W2967804265 cites W2562115340 @default.
- W2967804265 cites W2577848406 @default.
- W2967804265 cites W2582187633 @default.
- W2967804265 cites W2586253560 @default.
- W2967804265 cites W2588482447 @default.
- W2967804265 cites W2588665584 @default.
- W2967804265 cites W2591766847 @default.
- W2967804265 cites W2592219423 @default.
- W2967804265 cites W2606217927 @default.
- W2967804265 cites W2611330792 @default.
- W2967804265 cites W2613544251 @default.
- W2967804265 cites W2615210913 @default.
- W2967804265 cites W2711392031 @default.
- W2967804265 cites W2733400140 @default.
- W2967804265 cites W2735467165 @default.
- W2967804265 cites W2735853102 @default.
- W2967804265 cites W2754069490 @default.
- W2967804265 cites W2765398514 @default.
- W2967804265 cites W2770783078 @default.
- W2967804265 cites W2774836366 @default.
- W2967804265 cites W2781072068 @default.