Search Result "qsar approach"


Research Article

Discovery of Potent Natural-Product-Derived SIRT2 Inhibitors Using Structure- Based Exploration of SIRT2 Pharmacophoric Space Coupled With QSAR Analyses

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 21 Issue: 0 Year: 2021 Page: 1-9
Author(s): Mohammad A. Khanfar,Saja Alqtaishat

Research Article

In Silico Modeling of Small Molecule Carboxamides as Inhibitors of SARS-CoV 3CL Protease: An Approach Towards Combating COVID-19

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 8 Year: 2021 Page: 1281-1299
Author(s): Pathan Mohsin Khan,Vinay Kumar,Kunal Roy

Research Article

Structural Investigations of Aroylindole Derivatives through 3D-QSAR and Multiple Pharmacophore Modeling for the Search of Novel Colchicines Inhibitor

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 2 Year: 2021 Page: 131-142
Author(s): Vijay K. Patel,Harish Rajak

Research Article

Elaboration of Novel TTK1 Inhibitory Leads via QSAR-Guided Selection of Crystallographic Pharmacophores Followed By In Vitro Assay

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 4 Year: 2021 Page: 511-522
Author(s): Mahmoud A. Al-Sha'er,Mutasem O. Taha

Review Article

Machine Learning, Molecular Modeling, and QSAR Studies on Natural Products Against Alzheimer’s Disease

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 0 Year: 2021 Page: 1-22
Author(s): Érika Paiva de Moura,Natan Dias Fernandes,Alex France Messias Monteiro,Herbert Igor Rodrigues de Medeiros,Marcus Tullius Scotti,Luciana Scotti

Research Article

Prediction of Lipophilicity of some Quinolone Derivatives by using Quantitative Structure-Activity Relationship

Journal: Current Drug Discovery Technologies
Volume: 18 Issue: 1 Year: 2021 Page: 83-94
Author(s): Meysam Shirmohammadi,Esmat Mohammadinasab,Zakiyeh Bayat

Research Article

A Combined Approach of Pharmacophore Modeling, QSAR Study, Molecular Docking and In silico ADME/Tox Prediction of 4-Arylthio & 4-Aryloxy-3- Iodopyridine-2(1H)-one Analogs to identify Potential Reverse Transcriptase Inhibitor: Anti-HIV Agents

Journal: Medicinal Chemistry
Volume: 17 Issue: 0 Year: 2021 Page: 1-37
Author(s): Debadash Panigrahi,Amiyakanta Mishra,Susanta Kumar Sahu,Mohd. Afzal Azam,C.M. Vyshaag

Research Article

A Comparative Study of 1D Descriptors Supported CoMFA and CoMSIA QSAR Models to Gain Novel Insights into 1,2,4-Triazoles Acting As Antitubercular Agents

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 2 Year: 2021 Page: 281-293
Author(s): Rajdeep Ray,Gautham G. Shenoy,T.N.V. Ganesh Kumar

Review Article

Artificial Intelligence, Big data and Machine Learning approaches in Precision Medicine & Drug Discovery

Journal: Current Drug Targets
Volume: 22 Issue: 6 Year: 2021 Page: 631-655
Author(s): Anuraj Nayarisseri,Ravina Khandelwal,Poonam Tanwar,Maddala Madhavi,Diksha Sharma,Garima Thakur,Alejandro Speck-Planche,Sanjeev Kumar Singh

Research Article

Safe and Effective Kinase Inhibitors for the Treatment of Gynecological Cancers: In Silico Approach

Journal: Current Drug Metabolism
Volume: 22 Issue: 7 Year: 2021 Page: 537-549
Author(s): Vaishali M. Patil,Abhishek Kumar,Vaishali Anand,Priya Bansal,Neeraj Masand

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