Search Result "ADMET score"


QSAR, Docking and ADMET Studies of Artemisinin Derivatives for Antimalarial Activity Targeting Plasmepsin II, a Hemoglobin-Degrading Enzyme from P. falciparum

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 37 Year: 2012 Page: 6133-6154
Author(s): Tabish Qidwai,Dharmendra K. Yadav,Feroz Khan,Sangeeta Dhawan,R. S. Bhakuni

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

Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 7 Year: 2021 Page: 674-685
Author(s): Manos C. Vlasiou,Kyriakos I. Ioannou,Kyriaki S. Pafiti

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

Pyridine and Benzoisothiazole Decorated Vanillin Chalcones: Synthesis, Antimicrobial, Antioxidant, Molecular Docking Study and ADMET Properties

Journal: Current Organic Synthesis
Volume: 17 Issue: 5 Year: 2020 Page: 367-381
Author(s): Pintu Pathare,Sunil Tekale,Rafique Shaikh,Manoj Damale,Jaiprakash Sangshetti,Dhanaji Rajani,Rajendra Pawar

Research Article

Structure-based Virtual Screening for the Identification of High-affinity Small Molecule Towards STAT3 for the Clinical Treatment of Osteosarcoma

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 2511-2526
Author(s): Ravina Khandelwal,Aashish Pratap Singh Chauhan,Swarnima Bilawat,Aishwarya Gandhe,Tajamul Hussain,Elizabeth Anne Hood,Anuraj Nayarisseri,Sanjeev Kumar Singh

Review Article

A Virtual Screening Approach for the Identification of High Affinity Small Molecules Targeting BCR-ABL1 Inhibitors for the Treatment of Chronic Myeloid Leukemia

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 26 Year: 2017 Page: 2989-2996
Author(s): Saphy Sharda,Palash Sarmandal,Shirisha Cherukommu,Kiran Dindhoria,Manisha Yadav,Srinivas Bandaru,Anudeep Sharma,Aditi Sakhi,Tanmay Vyas,Tajamul Hussain,Anuraj Nayarisseri,Sanjeev Kumar Singh

Research Article

Spices Chemoconstituents as Persuasive Inhibitor of S. typhimurium Virulent Protein L-asparaginase

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 1 Year: 2017 Page: 1433-1454
Author(s): Archana Vimal , Awanish Kumar

Research Article

Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 3 Year: 2018 Page: 182-193
Author(s): Amit Lather,Sunil Sharma,Anurag Khatkar

Research Article

Synthesis of Novel Aryl (4-Aryl-1h-Pyrrol-3-Yl) (Thiophen-2-Yl) Methanone Derivatives: Molecular Modelling, In Silico Admet, Anti-Inflammatory and Anti-Ulcer Activities

Journal: Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry
Volume: 20 Issue: 2 Year: 2021 Page: 182-195
Author(s): Arif Pasha,Sumanta Mondal,Naresh Panigrahi

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