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

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Volume 20 , Issues 6, 2024

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Volume 20, Issue 6, 2024


Review Article

Automation of Drug Discovery through Cutting-edge In-silico Research in Pharmaceuticals: Challenges and Future Scope

Pp: 723-735
Author(s): Smita Singh, Pranjal Kumar Singh*, Kapil Sachan, Mukesh Kumar and Poonam Bhardwaj
DOI: 10.2174/0115734099260187230921073932
Published on: 02 October, 2023

Systematic Review Article

Efficacy and Safety of PARP Inhibitor Therapy in Advanced Ovarian Cancer: A Systematic Review and Network Meta-analysis of Randomized Controlled Trials

Pp: 736-751
Author(s): Juying Chen*, Xiaozhe Wu, Hongzhe Wang, Xiaoshan Lian, Bing Li and Xiangbo Zhan
DOI: 10.2174/1573409920666230907093331
Published on: 20 September, 2023

Research Article

Targets and Mechanisms of Xuebijing in the Treatment of Acute Kidney Injury Associated with Sepsis: A Network Pharmacology-based Study

Pp: 752-763
Author(s): Jing Wang*, Chengyu Luo, Mengling Luo, Siwen Zhou and Guicheng Kuang
DOI: 10.2174/1573409919666230519121138
Published on: 08 June, 2023

Research Article

Molecular Docking and Molecular Dynamics Simulation of New Potential JAK3 Inhibitors

Pp: 764-772
Author(s): Qidi Zhong, Jiarui Qin, Kaihui Zhao, Lihong Guo and Dongmei Li*
DOI: 10.2174/1573409919666230525154120
Published on: 30 August, 2023

Research Article

Unearthing Insights into Metabolic Syndrome by Linking Drugs, Targets, and Gene Expressions Using Similarity Measures and Graph Theory

Pp: 773-783
Author(s): Alwaz Zafar, Bilal Wajid*, Ans Shabbir, Fahim Gohar Awan, Momina Ahsan, Sarfraz Ahmad, Imran Wajid, Faria Anwar and Fazeelat Mazhar
DOI: 10.2174/1573409920666230817101913
Published on: 06 September, 2023

Research Article

Discovery of a Potential Allosteric Site in the SARS-CoV-2 Spike Protein and Targeting Allosteric Inhibitor to Stabilize the RBD Down State using a Computational Approach

Pp: 784-797
Author(s): Tong Li, Zheng Yan, Wei Zhou, Qun Liu*, Jinfeng Liu* and Haibing Hua*
DOI: 10.2174/1573409919666230726142418
Published on: 09 August, 2023

Research Article

Predicting Antitumor Activity of Anthrapyrazole Derivatives using Advanced Machine Learning Techniques

Pp: 798-810
Author(s): Marcin Gackowski*, Robert Pluskota and Marcin Koba
DOI: 10.2174/1573409919666230612144407
Published on: 03 July, 2023

Research Article

Hibiscus sabdariffa Linn. Extract Increases the mRNA Expression of the Arcuate Nucleus Leptin Receptor and is Predicted in silico as an Anti-obesity Agent

Pp: 811-821
Author(s): Neng Tine Kartinah, Suci Anggraini*, Fadilah Fadilah and Rickie Rickie
DOI: 10.2174/1573409920666230822115144
Published on: 19 September, 2023

Research Article

Computational Studies and Antimicrobial Activity of 1-(benzo[d]oxazol-2- yl)-3,5-diphenylformazan Derivatives

Pp: 835-846
Author(s): Mazen Almehmadi, Ahad Amer Alsaiari, Mamdouh Allahyani, Abdulaziz Alsharif, Abdulelah Aljuaid, Supriyo Saha and Mohammad Asif*
DOI: 10.2174/1573409919666230703103135
Published on: 17 July, 2023

Research Article

Machine Learning Algorithms Identify Target Genes and the Molecular Mechanism of Matrine against Diffuse Large B-cell Lymphoma

Pp: 847-859
Author(s): Yidong Zhu, Zhongping Ning, Ximing Li* and Zhikang Lin*
DOI: 10.2174/1573409920666230821102806
Published on: 14 September, 2023

Research Article

Network Pharmacology, Molecular Docking and Experimental Verification Revealing the Mechanism of Fule Cream against Childhood Atopic Dermatitis

Pp: 860-875
Author(s): Chang Liu, Yuxin Liu, Yi Liu, Jing Guan, Ying Gao, Ling Ou, Yuenan Qi, Xiaoxi Lv* and Jianmin Zhang*
DOI: 10.2174/0115734099257922230925074407
Published on: 02 October, 2023

Research Article

A Computational Approach for Designing and Validating Small Interfering RNA against SARS-CoV-2 Variants

Pp: 876-887
Author(s): Kishore Dhotre, Debashree Dass, Anwesha Banerjee, Vijay Nema and Anupam Mukherjee*
DOI: 10.2174/1573409920666230825111406
Published on: 14 September, 2023

Research Article open access plus

Deciphering the Underlying Mechanisms of Sanleng-Ezhu for the Treatment of Idiopathic Pulmonary Fibrosis Based on Network Pharmacology and Single-cell RNA Sequencing Data

Pp: 888-910
Author(s): Xianqiang Zhou, Fang Tan, Suxian Zhang and Tiansong Zhang*
DOI: 10.2174/1573409920666230808120504
Published on: 22 August, 2023

Research Article

Banxia Xiexin Decoction Prevents HT22 Cells from High Glucose-induced Neurotoxicity via JNK/SIRT1/Foxo3a Signaling Pathway

Pp: 911-927
Author(s): Yinli Shi, Pei Sheng, Ming Guo, Kai Chen, Yun Zhao, Xu Wang, Mianhua Wu and Bo Li*
DOI: 10.2174/1573409920666230822110258
Published on: 13 September, 2023

Research Article

The Diagnostic Features of Peripheral Blood Biomarkers in Identifying Osteoarthritis Individuals: Machine Learning Strategies and Clinical Evidence

Pp: 928-942
Author(s): Qiao Zhou, Jian Liu*, Ling Xin, Yuedi Hu and Yajun Qi
DOI: 10.2174/1573409920666230818092427
Published on: 31 August, 2023

Research Article

Molecular Modelling of Resveratrol Derivatives with SIRT1 for the Stimulation of Deacetylase Activity

Pp: 943-954
Author(s): Mozhdeh Zamani, Pooneh Mokarram*, Mehdi Jamshidi, Morvarid Siri and Hadi Ghasemi*
DOI: 10.2174/0115734099258321231003161602
Published on: 12 October, 2023

Research Article

Identification of Prognostic Markers and Potential Therapeutic Targets using Gene Expression Profiling and Simulation Studies in Pancreatic Cancer

Pp: 955-973
Author(s): Samvedna Singh, Aman Chandra Kaushik, Himanshi Gupta, Divya Jhinjharia and Shakti Sahi*
DOI: 10.2174/1573409920666230914100826
Published on: 12 October, 2023

Research Article open access plus

The Potential Roles of Ficus carica Extract in the Management of COVID-19 Viral Infections: A Computer-aided Drug Design Study

Pp: 974-986
Author(s): Mahmoud Hamed, Maha Khalifa, Mahmoud A. El Hassab, Mohammed A. S. Abourehab, Omkulthom Al Kamaly*, Ashwag S. Alanazi, Wagdy M. Eldehna and Fotouh R. Mansour
DOI: 10.2174/1573409920666230818092445
Published on: 04 September, 2023

Research Article

Fluorinated Diaryl Sulfonamides: Molecular Modeling, Synthesis, and In Vitro Validation as New CETP Inhibitors

Pp: 987-997
Author(s): Reema Abu Khalaf*, Azhar Shalluf and Maha Habash
DOI: 10.2174/0115734099268407230927113905
Published on: 18 October, 2023

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