(Q58862088)

3

object named as

Fidele Ntie-Kang

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author name string

Akachukwu Ibezim

1

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Biplab Debnath

2

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Chika John Mbah

Medicinal Chemistry Research

4

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publication date

11 January 2017

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published in

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volume

26

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page(s)

562-579

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issue

3

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exact match

https://scigraph.springernature.com/pub.10.1007/s00044-016-1764-y

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cites work

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Predictive in silico modeling for hERG channel blockers

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Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells

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What Controls Glycolysis in Bloodstream FormTrypanosoma brucei?

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The Protein Data Bank

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Cheminformatic models to predict binding affinities to human serum albumin.

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Genetic engineering of Trypanosoma (Dutonella) vivax and in vitro differentiation under axenic conditions

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Computer-aided discovery of Trypanosoma brucei RNA-editing terminal uridylyl transferase 2 inhibitors

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Structural basis for UTP specificity of RNA editing TUTases from Trypanosoma brucei

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Role of ornithine decarboxylase in breast cancer

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Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

21 January 2018

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Quantitative structure-antitumor activity relationships of camptothecin analogues: cluster analysis and genetic algorithm-based studies

21 January 2018

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Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry

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A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

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Natural products active against African trypanosomes: a step towards new drugs.

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Anti-trypanosomal activity of African medicinal plants: a review update.

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Antitrypanosomal activity of fexinidazole, a new oral nitroimidazole drug candidate for treatment of sleeping sickness

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The evolving role of natural products in drug discovery

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Crystal Structures of T. b. rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation

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Adenosine Kinase of T. b. Rhodesiense identified as the putative target of 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine using chemical proteomics

21 January 2018

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CYP51 from Trypanosoma cruzi: a phyla-specific residue in the B' helix defines substrate preferences of sterol 14alpha-demethylase

21 January 2018

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Progresses in the field of drug design to combat tropical protozoan parasitic diseases

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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Prediction of the brain-blood distribution of a large set of drugs from structurally derived descriptors using partial least-squares (PLS) modeling.

21 January 2018

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NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database

21 January 2018

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Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes

21 January 2018

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Drug transport and drug resistance in African trypanosomes

21 January 2018

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Molecular mechanics and molecular shape. III. Surface area and cross-sectional areas of organic molecules.

21 January 2018

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Farnesyl pyrophosphate synthase is an essential enzyme in Trypanosoma brucei. In vitro RNA interference and in vivo inhibition studies

21 January 2018

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Crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate

21 January 2018

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Molecular modeling of potential anticancer agents from African medicinal plants.

21 January 2018

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How “drug-like” are naturally occurring anti-cancer compounds?

21 January 2018

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In silico drug metabolism and pharmacokinetic profiles of natural products from medicinal plants in the Congo basin.

21 January 2018

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Assessing the pharmacokinetic profile of the CamMedNP natural products database: an in silico approach

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AfroDb: a select highly potent and diverse natural product library from African medicinal plants

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Anti-trypanosomal activity of nigerian plants and their constituents.

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Structural differences in triosephosphate isomerase from different species and discovery of a multitrypanosomatid inhibitor

21 January 2018

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Current trends in lead discovery: are we looking for the appropriate properties?

21 January 2018

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Polar molecular surface properties predict the intestinal absorption of drugs in humans.

21 January 2018

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Anti cancer activity on Graviola, an exciting medicinal plant extract vs various cancer cell lines and a detailed computational study on its potent anti-cancerous leads

21 January 2018

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A predictive algorithm for skin permeability: the effects of molecular size and hydrogen bond activity

21 January 2018

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Developing a drug-like natural product library

21 January 2018

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Trends in virtual combinatorial library design

21 January 2018

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ZINC 15--Ligand Discovery for Everyone

21 January 2018

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Molecular properties that influence the oral bioavailability of drug candidates

21 January 2018

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Pharmacophore modeling, virtual screening, docking and in silico ADMET analysis of protein kinase B (PKB β) inhibitors.

21 January 2018

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