Search Result "ADMET models"


Review Article

Quantum Mechanical (QM) Calculations Applied to ADMET Drug Prediction: A Review

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 511-526
Author(s): E. F. Silva-Júnior,T. M. Aquino,J. X. Araújo-Júnior

Research Article

3D-QSAR, Topomer CoMFA, Docking Analysis, and ADMET Predictio n of Thioether Pleuromutilin Derivatives as Antibacterial Agents

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 8 Year: 2017 Page: 869-879
Author(s): Zhen Wang,Zhi Wang,Li Ping Cheng

Review Article

Towards Predicting the Cytochrome P450 Modulation: From QSAR to Proteochemometric Modeling

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 540-555
Author(s): Watshara Shoombuatong,Philip Prathipati,Veda Prachayasittikul,Nalini Schaduangrat,Aijaz Ahmad Malik,Reny Pratiwi,Sompon Wanwimolruk,Jarl E. S. Wikberg,Matthew Paul Gleeson,Ola Spjuth,Chanin Nantasenamat

Research Article

Molecular Docking and In Silico ADMET Study Reveals Flavonoids as a Potential Inhibitor of Aromatase

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1267-1276
Author(s): Umang Shah,Samir Patel,Mehul Patel,Jagat Upadhayay

Research Article

Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 5 Year: 2017 Page: 515-527
Author(s): Siekh Abdul Amin,Nilanjan Adhikari,Ram K. Agrawal,Tarun Jha,Shovanlal Gayen

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

Molecular Modelling of Berberine Derivatives as Inhibitors of Human Smoothened Receptor and Hedgehog Signalling Pathway Using a Newly Developed Algorithm on Anti-Cancer Drugs

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 12 Issue: 4 Year: 2017 Page: 384-400
Author(s): Parham Jabbarzadeh Kaboli,Mohammad Bazrafkan,Patimah Ismail,King-Hwa Ling

Review Article

Recent Advances of Computational Modeling for Predicting Drug Metabolism: A Perspective

Journal: Current Drug Metabolism
Volume: 18 Issue: 1 Year: 2017 Page: 1106-1122
Author(s): Supratik Kar,Jerzy Leszczynski

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

In-silico & In-vitro Identification of Structure-Activity Relationship Pattern of Serpentine & Gallic Acid Targeting PI3Kγ as Potential Anticancer Target

Journal: Current Cancer Drug Targets
Volume: 17 Issue: 8 Year: 2017 Page: 722-734
Author(s): Pooja Sharma,Aparna Shukla,Komal Kalani,Vijaya Dubey,Suaib Luqman,Santosh Kumar Srivastava,Feroz Khan

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