Search Result "ADMET score"


Research Article

Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 7 Year: 2021 Page: 674-685
Author(s): Manos C. Vlasiou,Kyriakos I. Ioannou,Kyriaki S. Pafiti

Research Article

Synthesis of Novel Aryl (4-Aryl-1h-Pyrrol-3-Yl) (Thiophen-2-Yl) Methanone Derivatives: Molecular Modelling, In Silico Admet, Anti-Inflammatory and Anti-Ulcer Activities

Journal: Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry
Volume: 20 Issue: 2 Year: 2021 Page: 182-195
Author(s): Arif Pasha,Sumanta Mondal,Naresh Panigrahi

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 Insights into the Molecular Design of ROS1 Inhibitor for the Treatment of Non-Small Cell Lung Cancer (NSCLC)

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 3 Year: 2021 Page: 387-401
Author(s): Ritu Adhikary,Ravina Khandelwal,Tajamul Hussain,Anuraj Nayarisseri,Sanjeev K. Singh

Research Article

A Computational Approach for Identifying Potential Phytochemicals Against Non-structural Protein 1 (Nsp1) of SARS-CoV-2

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 9 Year: 2021 Page: 1482-1491
Author(s): Md. Alamgir Hossain

Mini-Review Article

Computational and Biological Investigations on Abl1 Tyrosine Kinase: A Review

Journal: Current Drug Targets
Volume: 22 Issue: 1 Year: 2021 Page: 38-51
Author(s): Masilamani Elizabeth Sobhia,G. Siva Kumar,Antara Mallick,Harmanpreet Singh,Kranthi Kumar,Meenakshi Chaurasiya,Narendra Gera,Sindhuja Deverakonda,Vinay Baghel

Research Article

In-silico Studies and Wet-Lab Validation of Camptothecin Derivatives for Anti-Cancer Activity Against Liver (HepG2) and Lung (A549) Cancer Cell Lines

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 1 Year: 2021 Page: 908-919
Author(s): Komal Kalani,Dharmendra K. Yadav,Sarfaraz Alam,Feroz Khan,Mahendra P. Kashyap,Santosh K. Srivastava,Aditya B. Pant

Research Article

Structure Based Drug Design Approach to Identify Potential SARS-CoV-2 Polymerase Inhibitors

Journal: Coronaviruses
Volume: 2 Issue: 4 Year: 2021 Page: 507-515
Author(s): Preeya Negi,Surya Prakash,Vaishali M. Patil

Research Article

A Multi-target Drug Designing for BTK, MMP9, Proteasome and TAK1 for the Clinical Treatment of Mantle Cell Lymphoma

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 9 Year: 2021 Page: 790-818
Author(s): Shahrukh Qureshi,Ravina Khandelwal,Maddala Madhavi,Naveesha Khurana,Neha Gupta,Saurav K. Choudhary,Revathy A. Suresh,Lima Hazarika,Chillamcherla D. Srija,Khushboo Sharma,Mali R. Hindala,Tajamul Hussain,Anuraj Nayarisseri,Sanjeev K. Singh

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

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