Search Result "Pharmacophore features"


Research Article

Pharmacophore-based screening for identification of Human Acyl-CoA cholesterol acyltransferase inhibitors: An in-silico study

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-14
Author(s): Shasta Kalra,Puja Kumari,Ankit Dhaundiyal

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

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

Pharmacophore Modelling and Virtual Screening Studies for the Discovery of Potential Natural Products Based PDE1B Inhibitor Lead Compounds

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 21 Issue: 3 Year: 2021 Page: 195-204
Author(s): Teng Woei Shy

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

Research Article open access plus

Discovery of Structural Prospects of Imidazo[1,5-a]pyrazine Derivatives as BTK Inhibitors Against Cancer: A Computational Study

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-13
Author(s): Amena Ali,Abuzer Ali,Mohamed Jawed Ahsan

Review Article

Prediction of Protein Structural Classes: Features Extraction to Classification Algorithm

Journal: Current Proteomics
Volume: 18 Issue: 0 Year: 2021 Page: 1-11
Author(s): Xiaoqing Liu,Zhenyu Yang,Yaoxin Wang,Qi Dai

Research Article

In silico Screening of Phytoconstituents with Antiviral Activities Against SARS-COV-2 Main Protease, Nsp12 Polymerase, and Nsp13 Helicase Proteins

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-17
Author(s): Jainey James,Divya Jyothi,Sneh Priya

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

In-silico Studies and Biological Activity of Potential BACE-1 Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 5 Year: 2021 Page: 729-736
Author(s): Richa Arya,Sarvesh Paliwal,S.P Gupta,Swapnil Sharma,Kirtika Madan,Achal Mishra,Kanika Verma,Neha Chauhan

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