Search Result "ADMET score"


Research Article

Identification of Novel PPAR?/? Dual Agonists by Virtual Screening of Specs Database

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 8 Year: 2016 Page: 644-655
Author(s): Jun Zhang, Xin Liu, Shu-Qing Wang, Jing-Wei Fu, Wei-Ren Xu, Xian-Chao Cheng, Run- Ling Wang

Development of Energy-based Pharmacophore Model and Stepwise Virtual Screening of LRRK2 Inhibitors Through Molecular Dynamics and Mechanics

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 1 Year: 2016 Page: 24-32
Author(s): Sagar S. Bhayye,Kunal Roy,Achintya Saha

Identification of Novel BACE1 Inhibitors by Combination of Pharmacophore Modeling, Structure-Based Design and In Vitro Assay

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 1 Year: 2016 Page: 73-82
Author(s): Yuan Ju,Zicheng Li,Yong Deng,Aiping Tong,Liangxue Zhou,Youfu Luo

Research Article

Structure-Activity Relationship Studies on Holy Basil (Ocimum sanctum L.) Based Flavonoid Orientin and its Analogue for Cytotoxic Activity in Liver Cancer Cell Line HepG2

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 8 Year: 2016 Page: 656-666
Author(s): Pooja Sharma, Om Prakash, Aparna Shukla, Chetan Singh Rajpurohit, Prema G. Vasudev, Suaib Luqman, Santosh Kumar Srivastava, Aditya Bhushan Pant, Feroz Khan

Research Article

Molecular Modeling and Virtual Screening Approach to Discover Potential Antileishmanial Inhibitors Against Ornithine Decarboxylase

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 813-823
Author(s): Rajan Kumar Pandey,Priyanka Prajapati,Sukriti Goyal,Abhinav Grover,Vijay Kumar Prajapati

Research Article

Identification of Novel Inhibitors for Disrupting EZH2-EED Interactions Involved in Cancer Epigenetics: An In-Silico Approach

Journal: Current Proteomics
Volume: 13 Issue: 4 Year: 2016 Page: 313-321
Author(s): Utkarsh Raj,Himansu Kumar,Saurabh Gupta,Pritish Kumar Varadwaj

Research Article

Imidazole-based Derivatives as Potential Anti-platelet Inhibitors: DFT and Molecular Docking Study

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 888-896
Author(s): Mehbub I. K. Momin, Neil A. Koorbanally, Bahareh Honarparvar

Research Article

Synthesis of Cyclic Imides (Methylphtalimides, Carboxylic Acid Phtalimides and Itaconimides) and Evaluation of their Antifungal Potential

Journal: Medicinal Chemistry
Volume: 12 Issue: 7 Year: 2016 Page: 647-654
Author(s):

Review Article

Molecular Docking for Identification of Potential Targets for Drug Repurposing

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2016 Page: 3636-3645
Author(s): Heng Luo, William Mattes, Donna L Mendrick, Huixiao Hong

Review Article

Structure- and Ligand-Based Approaches to Evaluate Aporphynic Alkaloids from Annonaceae as Multi-Target Agent Against Leishmania donovani

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 34 Year: 2016 Page: 5196-5203
Author(s): Vitor Prates Lorenzo,Ana Silvia Suassuna Carneiro Lúcio,Luciana Scotti,Josean Fechine Tavares,José Maria Barbosa Filho,Tatjana Keesen de Souza Lima,Juliana da Câmara Rocha,Marcus Tullius Scotti

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