Results 1 to 10 of about 141,530 (234)

Computer-aided drug design. [PDF]

BMC Chem, 2023
Computer-Aided Drug Design tools are now an indispensable part of drug discovery that have made key contributions to the development of drugs. In this editorial, I briefly provide an overview of CADD emphasizing its potential and invite authors from ...
Ece A.
europepmc   +6 more sources

Computer-Aided Drug Design and Drug Discovery. [PDF]

Pharmaceuticals (Basel)
In the rapidly evolving landscape of pharmaceutical research, the integration of computational methods has become a cornerstone in drug discovery and development efforts [...].
Mihai DP, Nitulescu GM.
europepmc   +5 more sources

Computer-Aided Drug Design: An Update. [PDF]

Methods Mol Biol, 2023
Computer-Aided drug design (CADD) approaches are playing an increasingly important roles in understanding the fundamentals of ligand-receptor interactions and helping medicinal chemists design therapeutics.
Yu W, Weber DJ, MacKerell AD.
europepmc   +4 more sources

Role of Computer-Aided Drug Design in Drug Development. [PDF]

Molecules, 2023
The introduction of computational techniques to pharmaceutical chemistry and molecular biology in the 20th century has changed the way people develop drugs [...].
Gu R, Wu F, Huang Z.
europepmc   +5 more sources

Computer-Aided Drug Design towards New Psychotropic and Neurological Drugs. [PDF]

Molecules, 2023
Central nervous system (CNS) disorders are a therapeutic area in drug discovery where demand for new treatments greatly exceeds approved treatment options.
Dorahy G, Chen JZ, Balle T.
europepmc   +3 more sources

Computer-Aided Drug Design and Drug Discovery: A Prospective Analysis. [PDF]

Pharmaceuticals (Basel), 2023
In the dynamic landscape of drug discovery, Computer-Aided Drug Design (CADD) emerges as a transformative force, bridging the realms of biology and technology.
Niazi SK, Mariam Z.
europepmc   +2 more sources

Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies. [PDF]

Molecules, 2023
The application of computational approaches in drug discovery has been consolidated in the last decades. These families of techniques are usually grouped under the common name of “computer-aided drug design” (CADD), and they now constitute one of the ...
Bassani D, Moro S.
europepmc   +2 more sources

An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches. [PDF]

Int J Mol Sci, 2023
Small molecule kinase inhibitors (SMKIs) are of heightened interest in the field of drug research and development. There are 79 (as of July 2023) small molecule kinase inhibitors that have been approved by the FDA and hundreds of kinase inhibitor ...
Li L, Liu S, Wang B, Liu F, Xu S, Li P, Chen Y.   +6 more
europepmc   +2 more sources

Computer-aided drug design to generate a unique antibiotic family. [PDF]

Nat Commun
The World Health Organization has identified antibiotic resistance as one of the three greatest threats to human health. The need for antibiotics is a pressing matter that requires immediate attention.
Barden CJ, Wu F, Fernandez-Murray JP, Lu E, Sun S, Taylor MM, Rushton AL, Williams J, Tavasoli M, Meek A, Reddy AS, Doyle LM, Sagamanova I, Sivamuthuraman K, Boudreau RTM, Byers DM, Weaver DF, McMaster CR.   +17 more
europepmc   +2 more sources

Computer-Aided Drug Design and Synthesis of Rhenium Clotrimazole Antimicrobial Agents. [PDF]

Antibiotics (Basel), 2023
In the context of the global health issue caused by the growing occurrence of antimicrobial resistance (AMR), the need for novel antimicrobial agents is becoming alarming.
Cortat Y, Nedyalkova M, Schindler K, Kadakia P, Demirci G, Nasiri Sovari S, Crochet A, Salentinig S, Lattuada M, Steiner OM, Zobi F.   +10 more
europepmc   +2 more sources