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ISSN (Print):
1573-4099
ISSN (Online):
1875-6697
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Current Computer-Aided Drug Design

(Advances in Artificial Intelligence)

All Open Access articles of this journal are also available on ScienceDirect.

Impact Factor: 1.5

Indexed in: EI Compendex, Scopus, SCI Expanded... View all

Volume 20 , Issues 7, 2024

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Volume 21, Issue 2

Editorial

Accelerating Rheumatoid Arthritis Drug Repurposing: A Computational Approach

Pp: 125-128
Author(s): Muskan Gupta, Tuhin Mukherjee and Satyajit Mohanty*
DOI: 10.2174/0115734099326517240801035901

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Research Article open access plus

Integrated Bioinformatics Analysis and Target Drug Prediction of Inflammatory Bowel Disease Co-existent Diabetes Mellitus

Pp: 129-141
Author(s): Lili Yang, Ning Wang, Yutong Wang, Wen Li, Ziyang Kong, Bin Zhang* and Yaoyao Bian*
DOI: 10.2174/0115734099282247231211111219

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Research Article

Identification of Potential Inhibitors of Three NDM Variants of Klebsiella Species from Natural Compounds: A Molecular Docking, Molecular Dynamics Simulation, and MM-PBSA Study

Pp: 142-165
Author(s): Nakul Neog, Minakshi Puzari and Pankaj Chetia*
DOI: 10.2174/0115734099294294240311061115

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Research Article

Exploring the Molecular Mechanism by which Kaempferol Attenuates Sepsis-related Acute Respiratory Distress Syndrome Based on Network Pharmacology and Experimental Verification

Pp: 166-178
Author(s): Weichao Ding, Changbao Huang, Juan Chen, Wei Zhang, Mengmeng Wang, Xiaohang Ji, Shinan Nie* and Zhaorui Sun*
DOI: 10.2174/0115734099295805240126043059

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Research Article

3D-QSAR, Pharmacophore Modeling, ADMET, and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B Inhibitors

Pp: 179-193
Author(s): Githa Elizabeth Mathew, Chonny Herrera-Acevedo, Marcus Tullius Scotti, Sunil Kumar, Avni Berisha, Savaş Kaya, Saleh Alfarraj, Mohammad Javed Ansari, Archana Dhyani, Sachithra Thazhathuveedu Sudevan, Mohan Kumar and Bijo Mathew*
DOI: 10.2174/0115734099307062240801053329

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Research Article

Network Pharmacology, Molecular Docking and in vivo-based Analysis on the Effects of the MBZM-N-IBT for Arthritis

Pp: 194-210
Author(s): Alok Kumar Moharana, Mahendra Gaur, Tapas Kumar Mohapatra, Rudra Narayan Dash and Bharat Bhusan Subudhi*
DOI: 10.2174/0115734099307360240731052835

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Research Article

Design, Synthesis, Biological and in silico Evaluation of Novel Indazole-pyridine Hybrids for the Treatment of Breast Cancer

Pp: 211-225
Author(s): Ishan Panchal*, Rati Kailash Prasad Tripathi, Mange Ram Yadav, Meet Valera and Kinjal Parmar
DOI: 10.2174/0115734099308839240724100224

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Research Article

Computational Exploration of Isatin Derivatives for InhA Inhibition in Tuberculosis: Molecular Docking, MD Simulations and ADMET Insights

Pp: 226-254
Author(s): Vaishali Pavalbhai Patel, Rati Kailash Prasad Tripathi* and Abhay Dharamsi
DOI: 10.2174/0115734099333313240909103833

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