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Molecules with significant efficacy were studied for their single crystal X-ray diffraction, molecular docking, molecular dynamics and post-synthetic QSAR.
Evaluations of these molecules over 60 cell line panel of human cancer cells have identified two molecules with significant anticancer activities.
An NMR fragment screen for binders to the bromodomains of BRD4 identified 2-methyl-3-ketopyrroles 1 and 2. Elaboration of these fragments guided by structure-based design provided lead molecules with significant activity in a mouse tumor model.
Although carcharhine shark VH regions show greater than 50% identity to the human VH germline prototype, searches of lower deuterostome and invertebrate databases fail to detect molecules with significant relatedness.
As expected, KNN strategy is able to determine the target of small molecules with significant accuracy and robustness in internal cross validation.
Sense and antisense transcripts are defined as a pair of RNA molecules with significant sequence complementarity [1], [4], [5].
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Curcumin is a highly pleiotropic molecule with significant regulatory effects upon inflammation and inflammatory related diseases.
A multistage crystal structure prediction (CSP) methodology is applied to axitinib, a pharmaceutical molecule with significant polymorphism arising from molecular flexibility.
His Nutraceutical group is developing probiotic based nutraceuticals and also working on probioactive molecules like bacteriocin and antihyperglycemic EPS molecule with significant antioxidant activities (Patent Application No.: 594/KOL/2009) and industrial enzymes.
Reaction with SAM and d-CoA produced a molecule with significant quorum-sensing activity, whereas no active compound was produced from the reactions with any of the other substrates.
UCN-01 is a staurosporine derivative that is far less promiscuous than its parent molecule, with significant activity against a handful of kinases.
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