… of virtual and experimental screening of combinatorial libraries. Applications of virtual screening
to … the integration of virtual screening and combinatorial chemistry are also discussed. …

… used virtual screening to test our in-house library of natural compounds and synthetic analogs
(isolated or prepared by our research group) on the SARS-CoV-2 M pro target. This library …

… The 3CLpro could be propitious target to screen small molecule libraries as it inhibits the
cleavage of viral polyproteins and stop the spread of infection. The functional importance of …

… compounds in synthetically feasible virtual chemical libraries for virtual screening calls for the
… Here we discuss the use of chemoinformatics as a powerful virtual screening methodology …

… We envisioned such an approach might be modeled after the way natural products such
as secondary metabolites arise in response to environmental stress. For example, if a carbon …

… Using the available spike crystal structure, we performed a virtual screen with a library of
527 209 natural compounds against the receptor binding domain of this protein. Top hits from …

… Overall, emerging advances in mass spectrometry, NMR and other technologies are making
it possible to overcome the challenges encountered in screening natural products libraries …

… This has been illustrated, for example, by the design of novel antiparasitic agents by
combining virtual screening against a target family with structure-based compound library design …

… , and this approach continues to be a … virtual screening methods has opened up the possibility
to search also for compounds that do not necessarily exist in physical form in a screening …

… of structures for the synthesis of virtual combinatorial libraries [13]. The literature has studies
that have used computational tools for the approach and verification of compounds with …