Search Result "molecular descriptors and metabolism."


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

Computational Investigations of Coumarin Derivatives as CyclindependentKinase 9 Inhibitors Using 3D-QSAR, Molecular Docking andMolecular Dynamics Simulation

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 363-380
Author(s):

Research Article

Synthesis, Molecular Docking, and 2D-QSAR Modeling of Quinoxaline Derivatives as Potent Anticancer Agents against Triple-Negative Breast Cancer

Journal: Current Topics in Medicinal Chemistry
Volume: 22 Issue: 1 Year: 2022 Page: 855-867
Author(s): Arvind Singh Negi

General Research Article

Development of 2D, 3D-QSAR and Pharmacophore Modeling of Chalcones for the Inhibition of Monoamine Oxidase B

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 25 Issue: 0 Year: 2022 Page: 1-14
Author(s): Bijo Mathew,Chonny Herrera-Acevedo,Sanal Dev,T. M. Rangarajan,Mohamed Saheer Kuruniyan,Punnoth Poonkuzhi Naseef,Luciana Scotti,Marcus Tullius Scotti

Research Article

In vitro Inhibition Profiles and Molecular Docking Analysis of BenzohydrazideDerivatives on Red Blood Cell Carbonic Anhydrases Isozymes

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 381-392
Author(s): Işıl Nihan Korkmaz

Research Article

Antimetastatic Potential of Quercetin Analogues with Improved Pharmacokinetic Profile: A Pharmacoinformatic Preliminary Study

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 22 Issue: 7 Year: 2022 Page: 1407-1413
Author(s): Nebojša Pavlović,Nastasija Milošević,Maja Đjanić,Svetlana Goločorbin-Kon,Bojan Stanimirov,Karmen Stankov,Momir Mikov

Research Article

In Silico Studies to Develop New GSK3β Inhibitors Effective in theAlzheimer's Disease

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 8 Year: 2022 Page: 691-705
Author(s): Gozde Yalcin Ozkat

Use of Terpenoids to Control Helminths in Small Ruminants

Ebook: Terpenoids: Recent Advances in Extraction, Biochemistry and Biotechnology

Volume: 1 Year: 2022
Author(s):
Doi: 10.2174/9781681089645122010009
Research Article

Prophylactic and Therapeutic Potential Zinc Metallodrugs Drug Discovery:Identification of SARS-CoV-2 Replication and Spike/ACE2 Inhibitors

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 7 Year: 2022 Page: 519-534
Author(s): Mpho P. Ngoepe,Kgaugelo C. Tapala,Hadley S. Clayton

Review Article

Bioinformatics and Computer Simulation Approaches to the Discovery andAnalysis of Bioactive Peptides

Journal: Current Pharmaceutical Biotechnology
Volume: 23 Issue: 1 Year: 2022 Page: 1541-1555
Author(s):

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