Results 71 to 80 of about 1,944,029 (193)
Future Journal of Pharmaceutical Sciences, 2020 Background The resistance of V600E-BRAF to the vemurafenib and the side effects of the identified inhibitors trigger the research for a novel and more potent anti-melanoma agents. In this study, virtual docking screening along with pharmacokinetics ADMET
Abdullahi Bello Umar +3 more
doaj +1 more source
On the Origins of Three-Dimensionality in Drug-Like Molecules [PDF]
Future Medicinal Chemistry, 2016 Many medicinal chemistry-relevant structures and core scaffolds tend toward geometric planarity, which hampers the optimization of physicochemical properties desirable in drug-like molecules. As challenging drug target classes emerge, the exploitation of molecular three-dimensionality in lead optimization is becoming increasingly important.
Meyers, J, Carter, M, Mok, NY, Brown, N
openaire +3 more sources
GPT like transformer based conditional molecule generator and a high drug-likeness (QED) dataset generation [PDF]
This study presents the development and evaluation of a novel GPT-like conditional molecule generator designed to optimize the synthesis of chemical compounds with desirable properties.
Juan , Yang, Wen, Xing
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Molecular docking and prediction of ADME/drug-likeness properties of potentially active antidiabetic compounds isolated from aqueous-methanol extracts of Gymnema sylvestre and Combretum micranthum [PDF]
, 2021 Gymnema sylvestre and Combretum micranthum are well known for their ethno-medicinal uses in the northwest of Nigeria. In our recent study, we demonstrated the antidiabetic and antioxidant activities of the aqueous-me¬thanol extracts of the two plants and
Ononamadu, C.J. +3 more
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New antimalarial hits from Dacryodes edulis (Burseraceae)--part I: isolation, in vitro activity, in silico "drug-likeness" and pharmacokinetic profiles. [PDF]
PLoS ONE, 2013 The aims of the present study were to identify the compounds responsible for the anti-malarial activity of Dacryoedes edulis (Burseraceae) and to investigate their suitability as leads for the treatment of drug resistant malaria.
Denis Zofou +6 more
doaj +1 more source
Egyptian Journal of Medical Human Genetics, 2020 Background V600E-BRAF is a major protein target involved in various types of human cancers. However, the acquired resistance of the V600E-BRAF kinase to the vemurafenib and the side effects of other identified drugs initiate the search for efficient ...
Abdullahi Bello Umar +3 more
doaj +1 more source
Drug-likeness evaluation of the six dual-active alkaloids.
Drug-likeness evaluation of the six dual-active alkaloids.
Iqra Ahmad (17471892) +11 more
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Natural product-likeness score revisited: an open-source, open-data implementation
BMC Bioinformatics, 2012 Background Natural product-likeness of a molecule, i.e. similarity of this molecule to the structure space covered by natural products, is a useful criterion in screening compound libraries and in designing new lead compounds.
Jayaseelan Kalai Vanii +4 more
doaj +1 more source
, 2019 Drug-likeness (Lipinski rule of five) for XL765 and the six proposed dual inhibitors 28, 18, 38, 9, 10, and 19.
Mohd Rehan (198120)
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, 2022 Lipinski’s rule of five and Veber’s rule for drug-likeness analysis of selected phytochemicals and small molecule drugs.
Lemessa Etana Bultum (13162800) +2 more
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