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Flavonoids from Uvaria alba attenuate LPS-induced inflammatory responses by suppressing NF-κB activation in RAW 264.7 macrophages: In silico and in vitro perspectives

Kin Israel Notarte, Mark Tristan Quimque, Imee Macaranas, Abbas Khan, Adriel Pastrana, Oliver Villaflores, Hans Christian Arturo, Delfin Yñigo Pilapil, Sophia Morgan Tan, Dong-Qing Wei, Arlette Wenzel-Storjohann, Deniz Tasdemir, Yung Hyun Choi, Allan Patrick Macabeo

Version 1 posted 19 January 2022

367

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Theoretical and Computational Chemistry

Working Paper

Application of the “EigenValue Analysis (EVANS)” Methodology to Build Quantitative Structure Pharmacokinetic Relationship Models

Anish Gomatam, Blessy Joseph, Mushtaque S. Shaikh, Poonam Advani, Evans C. Coutinho

Version 1 posted 13 January 2021

328

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Biological and Medicinal Chemistry

Working Paper

Molecular Modeling of Novel Fluorophoric Thiazolo- [2, 3-B] Quinazolinones to Study Epidermal Growth Factor Receptor Tyrosine Kinase Inhibition Potency

Showkat Mir, Ganesh Chandra Dash, Kumar Sambhav Chopdar, Prajna Mohanta, Pranab Kishor Mohapatra, Iswar Baitharu, Ajay Kumar Behera, Mukesh Kumar Raval, Binata Nayak

Version 1 posted 09 March 2021

260

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Theoretical and Computational Chemistry

Working Paper

Actionable predictions of human pharmacokinetics at the drug design stage

Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden, Torsten Schindler, Marinka Zitnik, Lisa Sach-Peltason

Version 1 posted 06 March 2024

332

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Biological and Medicinal Chemistry

Working Paper

in Silico Docking and Molecular Dynamic Simulation of 3-Dehydroquinate Dehydratase from Mycobacterium Tuberculosis Through Virtual Screening and Pharmacokinetics Studies

Mustafa Alhaji Isa, Muhammad M Ibrahim

Version 1 posted 19 June 2020

399

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Organic Chemistry

Working Paper

Derivatisation of Parthenolide to Address Chemoresistant Chronic Lymphocytic Leukaemia

Xingjian Li, Daniel Payne, Badarinath Ampolu, Nicholas Bland, Jane T Brown, Mark Dutton, Catherine Fitton, Abigail Guliver, Lee Hale, Daniel Hamza, Geraint Jones, Rebecca Lane, Andrew Leach, Louise Male, Elena Merisor, Michael Morton, Alex Quy, Ruth Roberts, Rosanna Scarll, Timothy Schulz-Utermoehl, Tatjana Stankovic, Brett Stevenson, John Fossey, Angelo Agathanggelou

Version 1 posted 28 January 2019

887

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Biological and Medicinal Chemistry

Working Paper

GoldLeish: gold(I) Complexes as Oral Drug Candidates to Treat Leishmaniasis are Potent Trypanothione Reductase Inhibitors and Exert in vivo Efficacy

Luiza Tunes, Roberta Morato, Adriana Garcia, Joana Chaves, Tharcilla Aglio, Vinicius Schmitz, Mário Steindel, José Dias Correa-Junior, Helio Dos Santos, Frédéric Frézard, Mauro Almeida, Heveline Silva, Nilmar Moretti, Andre Barros, Rubens Monte-Neto

Version 1 posted 05 February 2019

711

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Theoretical and Computational Chemistry

Working Paper

Multi-task ADME/PK Prediction at Industrial Scale: Leveraging Large and Diverse Experimental Datasets

Moritz Walter, Jens Markus Borghardt, Lina Humbeck, Miha Skalic

Version 1 posted 12 January 2024

867

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Biological and Medicinal Chemistry

Working Paper

DeepCt: Predicting pharmacokinetic concentration-time curves and compartmental models from chemical structure using deep learning

Maximilian Beckers, Dimitar Yonchev, Sandrine Desrayaud, Grégori Gerebtzoff, Raquel Rodríguez-Pérez

Version 1 posted 29 March 2024

582

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Biological and Medicinal Chemistry

Working Paper

Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles

Marielle Rath, James Wellnitz, Holli-Joi Martin, Cleber Melo-Filho, Joshua Hochuli, Guilherme Martins da Silva, Jon-Michael Beasley, Travis Maxfield, Zoe Sessions, Konstantin Popov, Alexey Zakharov, Artem Cherkasov, Vinicius Alves, Eugene Muratov, Alexander Tropsha

Version 1 posted 20 March 2023

872

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11 results in pharmacokinetics in Keywords: pharmacokinetics

Flavonoids from Uvaria alba attenuate LPS-induced inflammatory responses by suppressing NF-κB activation in RAW 264.7 macrophages: In silico and in vitro perspectives

Application of the “EigenValue Analysis (EVANS)” Methodology to Build Quantitative Structure Pharmacokinetic Relationship Models

Molecular Modeling of Novel Fluorophoric Thiazolo- [2, 3-B] Quinazolinones to Study Epidermal Growth Factor Receptor Tyrosine Kinase Inhibition Potency

Actionable predictions of human pharmacokinetics at the drug design stage

in Silico Docking and Molecular Dynamic Simulation of 3-Dehydroquinate Dehydratase from Mycobacterium Tuberculosis Through Virtual Screening and Pharmacokinetics Studies

Derivatisation of Parthenolide to Address Chemoresistant Chronic Lymphocytic Leukaemia

GoldLeish: gold(I) Complexes as Oral Drug Candidates to Treat Leishmaniasis are Potent Trypanothione Reductase Inhibitors and Exert in vivo Efficacy

Multi-task ADME/PK Prediction at Industrial Scale: Leveraging Large and Diverse Experimental Datasets

DeepCt: Predicting pharmacokinetic concentration-time curves and compartmental models from chemical structure using deep learning

Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles

11 results in Keywords: pharmacokinetics