Search Result "ADMET score"


Research Article

Boesenbergia Pandurata as an Anti-Breast Cancer Agent: Molecular Dockingand ADMET Study

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 7 Year: 2022 Page: 606-626
Author(s): Mohammad Rizki Fadhil Pratama,Ersanda Nurma Praditapuspa,Dini Kesuma,Tri Widiandani,Siswandono Siswodihardjo

Research Article

Exploration of Luteolin as Potential Anti-COVID-19 Agent: Molecular Docking, Molecular Dynamic Simulation, ADMET and DFT Analysis

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 0 Year: 2022 Page: 1-16
Author(s): Waseem Ahmad Ansari,Tanveer Ahamad,Mohsin Ali Khan,Zaw Ali Khan,Mohammad Faheem Khan

Research Article

Design of Dual COX-2 and 5-LOX Inhibitors with Iron-Chelating PropertiesUsing Structure-Based and Ligand-Based Methods

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 4 Year: 2022 Page: 279-292
Author(s): Jelena Bošković,Dušan Ružić,Olivera Čudina,Katarina Nikolic,Vladimir Dobričić

Research Article

Pharmacophore Based Design of Probable FGFR-1 Inhibitors from the 3DCrystal Structure of Infigratinib - A Drug Used in the Treatment ofCholangiocarcinomas

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 4 Year: 2022 Page: 314-322
Author(s): Koushik Sarker,Avijit Ghosh,Abhijit Saha,Suvasish Mishra,Subrata Sen

Research Article

Pyrazole Substituted 9-Anilinoacridines as HER2 Inhibitors TargetingBreast Cancer - An in-silico approach

Journal: Current Drug Research Reviews
Volume: 14 Issue: 1 Year: 2022 Page: 61-72
Author(s): Kalirajan Rajagopal,Vulsi Bodhya Sri,Gowramma Byran,Swaminathan Gomathi

Research Article

Computational Investigation of Ligand Binding of Flavonoids in CytochromeP450 Receptors

Journal: Current Pharmaceutical Design
Volume: 28 Issue: 45 Year: 2022 Page: 3637-3648
Author(s): Chiemela S. Odoemelam,Caroline Lynn Kamerlin,Philippe B. Wilson

Research Article

Integrated Computational Analysis on Some Indolo-quinoline Derivatives for the Development of Novel Antiplasmodium Agents: CoMFA, Pharmacophore Mapping, Molecular Docking and ADMET Studies

Journal: Current Signal Transduction Therapy
Volume: 17 Issue: 1 Year: 2022 Page: 2-48
Author(s): Chaitali Mallick,Mitali Mishra,Vivek Asati,Varsha Kashaw,Ratnesh Das,Arun K. Iyer,Sushil Kumar Kashaw

Research Article

One-Pot Synthesis of Novel Hydrazono-1,3-Thıazolıdın-4-One Derivativesas Anti-HIV and Anti-Tubercular Agents: Synthesıs, Bıologıcal Evaluatıon,Molecular Modelling and Admet Studıes

Journal: Current HIV Research
Volume: 20 Issue: 3 Year: 2022 Page: 255-271
Author(s): Mohammad Arif Pasha,Scott G. Franzblau

Research Article

Computational Exploration of Anti-Cancer Potential of GUAIANE Dimers from Xylopia vielana by Targeting B-Raf Kinase Using Chemo-Informatics, Molecular Docking, and MD Simulation Studies

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 22 Issue: 4 Year: 2022 Page: 731-746
Author(s): Mubashir Hassan,Syed Qamar Abbas

Research Article

Anti-inflammatory Activity of PLA2 Inhibitory Saccharumoside-B

Journal: Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry
Volume: 21 Issue: 2 Year: 2022 Page: 121-134
Author(s): Surya Prabha Sadhu,Nagendra Sastry Yarla,Rajeswara Rao Pragada

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