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Pharmacokinetic profiling of anticancer phytocompounds using computational approach

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Albumin–drug interaction and its clinical implication

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Role of natural product diversity in chemical biology

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Natural products in drug discovery

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Toward in silico structure-based ADMET prediction in drug discovery

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Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity

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HERG K+ channels: friend and foe

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

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Natural Products as Sources of New Drugs from 1981 to 2014

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NANPDB: A Resource for Natural Products from Northern African Sources

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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

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A Medicinal Chemist’s Guide to Molecular Interactions

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Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

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Drug-likeness Analysis of Traditional Chinese Medicines: Prediction of Drug-likeness Using Machine Learning Approaches

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Development of a Natural Products Database from the Biodiversity of Brazil

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Drug Transport across the Blood–Brain Barrier

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ADMET in silico modelling: towards prediction paradise?

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The re-emergence of natural products for drug discovery in the genomics era

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CancerHSP: anticancer herbs database of systems pharmacology

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Ligand-based virtual screening and inductive learning for identification of SIRT1 inhibitors in natural products

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The significance of acid/base properties in drug discovery

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Natural product and natural product derived drugs in clinical trials

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NPred: QSAR classification model for identifying plant based naturally occurring anti-cancerous inhibitors

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Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA

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

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FAF-Drugs3: a web server for compound property calculation and chemical library design

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Review of natural product databases

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Influence of Acid-Base Balance on Efficacy and Toxicity of Drugs

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FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects

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CamMedNP: Building the Cameroonian 3D structural natural products database for virtual screening

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

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TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine

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TaxKB: a knowledge base for new taxane-related drug discovery

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QSAR based model for discriminating EGFR inhibitors and non-inhibitors using Random forest

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SANCDB: a South African natural compound database

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Role of Biotransformation Studies in Minimizing Metabolism-Related Liabilities in Drug Discovery

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AfroDb: A Select Highly Potent and Diverse Natural Product Library from African Medicinal Plants

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QSAR-Based Models for Designing Quinazoline/Imidazothiazoles/Pyrazolopyrimidines Based Inhibitors against Wild and Mutant EGFR

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Lipophilicity in drug discovery

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Exploration of natural product ingredients as inhibitors of human HMG-CoA reductase through structure-based virtual screening

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Exploring Cancer Therapeutics with Natural Products from African Medicinal Plants, Part II: Alkaloids, Terpenoids and Flavonoids

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Acetogenins as Potential Anticancer Agents

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Interactive Association of Drugs Binding to Human Serum Albumin

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Importance of ADME and Bioanalysis in the Drug Discovery

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Computational Approaches in Drug Development and Phytocompound Analysis

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Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches

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Botanical sources, biopharmaceutical profile, anticancer effects with mechanistic insight, toxicological and clinical evidence of prunetin: a literature review

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Machine Learning, Molecular Docking, and Dynamics-Based Computational Identification of Potential Inhibitors against Lung Cancer

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Neomangiferin, a Naturally Occurring Mangiferin Congener, Inhibits Sodium-Glucose Co-transporter-2: An In silico Approach

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Molecular docking and MD simulations predicted quercetin as a potent human interleukin-1 beta (hIL1β) inhibitor for improved endodontic disease management

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Isolation and structure elucidation of bioactive metabolites from poroid fungi of Hymenochaetaceae and Meripilaceae

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ADMET Profiling of Geographically Diverse Phytochemical Using Chemoinformatic Tools

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