FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1601478533> ?p ?o ?g. }

• W1601478533 endingPage "278" @default.
• W1601478533 startingPage "259" @default.
• W1601478533 abstract "Technological advances in pharmaceutical research during the past few decades have transformed drug discovery and development from empirical trial-and-error methods to development of mechanism-based compounds, often referred to as targeted therapy. In the targeted therapy approach, the scientific endeavor is to find drugs that can act on specific targets, the majority of which are proteins. Functions, or more typically dysfunctions, of these targeted cellular proteins typically underlie diseases. The therapeutic concept assumes that binding of drugs to the target proteins can alter the proteins’ function in the pathological states of cells. A favorable outcome of drug administration is to nullify or at least mitigate the disease. Development of a drug for treatment of a disease requires many resources as well as much time and collaborative effort of scientists from different disciplines, including chemistry, biology, and pharmacology. In the past decade, the computer has emerged as a powerful tool that can facilitate drug discovery and development. The initial step in the process calls for a correlation of the structures of known compounds with their activities in order to begin the search for new classes of molecules with the requisite activity. In recent years, more sophisticated computational molecular modeling methods have been developed and applied to the development of drugs, from initial discovery of hits and lead optimization to prediction of absorption, distribution, metabolism, and excretion (ADME) properties to toxicity (TOX) evaluation. In this chapter, we focus on the well-established computational methods applied to the identification and optimization of lead compounds. We first discuss the computational methodologies currently used in drug discovery. The strategies used for discovery and optimization of novel ligands by combining different computational tools are described next, and we then present case studies in which computational methods have been employed in drug design. We conclude by highlighting the current challenges and future perspectives of computer-aided drug design (CADD)." @default.
• W1601478533 created "2016-06-24" @default.
• W1601478533 creator A5013707598 @default.
• W1601478533 creator A5073754378 @default.
• W1601478533 creator A5090448113 @default.
• W1601478533 date "2013-03-13" @default.
• W1601478533 modified "2023-09-28" @default.
• W1601478533 title "Basic Principles and Practices of Computer-Aided Drug Design" @default.
• W1601478533 cites W1492587973 @default.
• W1601478533 cites W1496040402 @default.
• W1601478533 cites W1509196567 @default.
• W1601478533 cites W1544259807 @default.
• W1601478533 cites W1573009101 @default.
• W1601478533 cites W1592950931 @default.
• W1601478533 cites W1605578858 @default.
• W1601478533 cites W1965207004 @default.
• W1601478533 cites W1973191530 @default.
• W1601478533 cites W1975580333 @default.
• W1601478533 cites W1975691556 @default.
• W1601478533 cites W1976261939 @default.
• W1601478533 cites W1976353819 @default.
• W1601478533 cites W1977173978 @default.
• W1601478533 cites W1978184203 @default.
• W1601478533 cites W1979641354 @default.
• W1601478533 cites W1980374511 @default.
• W1601478533 cites W1984811139 @default.
• W1601478533 cites W1985588649 @default.
• W1601478533 cites W1986671430 @default.
• W1601478533 cites W1989205525 @default.
• W1601478533 cites W1990137109 @default.
• W1601478533 cites W1991591168 @default.
• W1601478533 cites W1995833243 @default.
• W1601478533 cites W1997477098 @default.
• W1601478533 cites W2003356525 @default.
• W1601478533 cites W2003932708 @default.
• W1601478533 cites W2004461664 @default.
• W1601478533 cites W2009423060 @default.
• W1601478533 cites W2012084558 @default.
• W1601478533 cites W2013933514 @default.
• W1601478533 cites W2015461838 @default.
• W1601478533 cites W2019732485 @default.
• W1601478533 cites W2022416218 @default.
• W1601478533 cites W2026971347 @default.
• W1601478533 cites W2032880022 @default.
• W1601478533 cites W2033293438 @default.
• W1601478533 cites W2034655166 @default.
• W1601478533 cites W2035672721 @default.
• W1601478533 cites W2038910312 @default.
• W1601478533 cites W2039545730 @default.
• W1601478533 cites W2043429268 @default.
• W1601478533 cites W2045193453 @default.
• W1601478533 cites W2045873232 @default.
• W1601478533 cites W2047453945 @default.
• W1601478533 cites W2050273205 @default.
• W1601478533 cites W2050456292 @default.
• W1601478533 cites W2052008210 @default.
• W1601478533 cites W2052030759 @default.
• W1601478533 cites W2052112948 @default.
• W1601478533 cites W2053308358 @default.
• W1601478533 cites W2054074966 @default.
• W1601478533 cites W2054166362 @default.
• W1601478533 cites W2054375149 @default.
• W1601478533 cites W2056169996 @default.
• W1601478533 cites W2056236390 @default.
• W1601478533 cites W2058527555 @default.
• W1601478533 cites W2058618818 @default.
• W1601478533 cites W2063060349 @default.
• W1601478533 cites W2064028659 @default.
• W1601478533 cites W2065283382 @default.
• W1601478533 cites W2068672372 @default.
• W1601478533 cites W2071717945 @default.
• W1601478533 cites W2074267393 @default.
• W1601478533 cites W2074370114 @default.
• W1601478533 cites W2074978477 @default.
• W1601478533 cites W2078933468 @default.
• W1601478533 cites W2081562576 @default.
• W1601478533 cites W2087278189 @default.
• W1601478533 cites W2087621126 @default.
• W1601478533 cites W2091531721 @default.
• W1601478533 cites W2097612485 @default.
• W1601478533 cites W2102377211 @default.
• W1601478533 cites W2111796195 @default.
• W1601478533 cites W2112615307 @default.
• W1601478533 cites W2114520383 @default.
• W1601478533 cites W2114779636 @default.
• W1601478533 cites W2114819818 @default.
• W1601478533 cites W2115213105 @default.
• W1601478533 cites W2117515038 @default.
• W1601478533 cites W2118587156 @default.
• W1601478533 cites W2120406481 @default.
• W1601478533 cites W2120551199 @default.
• W1601478533 cites W2121895929 @default.
• W1601478533 cites W2125715557 @default.
• W1601478533 cites W2128332459 @default.
• W1601478533 cites W2134452061 @default.
• W1601478533 cites W2134544924 @default.
• W1601478533 cites W2135502915 @default.
• W1601478533 cites W2135732933 @default.

• next