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

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

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

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

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

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

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 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

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