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LETTERS IN DRUG DESIGN & DISCOVERY

IF1.6
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Exploring coumarin derivatives as promising Acetylcholinesterase inhibitors in alzheimer disease: Integrating QSAR, docking, MD simulations, and DFT study
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-04-01
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PREAI
deleteSaini, Sweety; Paliwal, Deepika; Thakur, Aman
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Integrating single-cell sequencing and network pharmacology to reveal the mechanisms of matrine against ulcerative colitis
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IF1.6
delete2026-03-01
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PREAI
deleteLin, Minghua; Lan, Luying; Li, Fudi; Ye, Wen; Huang, Qijian
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Artificial intelligence and machine learning in drug discovery: From lead discovery to clinical validation (2020-2025)
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IF1.6
delete2026-03-01
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PREAI
deleteVerma, Vikrant; Kumar, Dharmendra
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Investigation of 4-(4-Chlorophenyl)-2,4-dihydro-5-(4-pyridyl)-3H-1,2,4-triazole-3-thione in morphine induced dependence model augmented by simulation and molecular docking
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IF1.6
delete2026-03-01
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PREAI
deleteAyub, Insha; Qazi, Neelum Gul; Badshah, Ismail; Nadeem, Humaira; Hussain, Sajid; Ullah, Farman; Alsharif, Khalaf F.; Alzahrani, Khalid J.; Ali, Fawad; Khan, Haroon
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Exploring the mechanism of Squamocin inhibits oral squamous cell carcinoma malignant progression by targeting peroxisome proliferator activated receptor-gamma based on network pharmacology and molecular docking
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteHu, Daoyong; Dai, Qun; Xiong, Hao; Zhong, Tian
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Integration of single-cell sequencing and multi-omics approaches with pharmacological analysis to unveil biomarkers and mechanisms of traditional Chinese medicine in treating heart diseases
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteWang, Xiancheng; Wang, Lu; Su, Hongyan; Yuan, Na; Wang, Te
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Eco-friendly synthesis of CUO-Ag nanoparticles using Mentha Longifolia and their anticancer efficacy in breast and gastric cancer cells
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deletePahlevanhosseini, Hoda; Khorin, Fatemeh Siahmansuor; Mohammadgholi, Azadeh; Moghaddam, Nastaran Asghari
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Integrative single-cell sequencing and metabolomics reveal the immunometabolic regulatory network of alirocumab in atherosclerosis: Focus on the PCSK9-LOX-1-NF-κB-IL-6 axis and therapeutic prospects
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteWang, Yi-Sheng; Wang, Xue; Chen, Min; Lu, Ping; Qian, Zhuo-Lei
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Indole ring linked thiazolidone hybrid molecules as potent tubulin inhibitors
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteAbba, Abdulrahman; Unal, Naz; Dede, Zulal Sevgi; Bedir, Ipek; Telci, Dilek; Aru, Basak; Demirel, Gulderen Yanikkaya; Akdeniz, Gunes Yildirim; Timucin, Ahmet Can; Gungor, Burcin; Akgun, Hulya
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Indolizines in focus: Synthetic approaches, biological profiles, and SAR perspectives, a review
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deletePathak, Shilpi; Sharma, Vishnu; Agrawal, Neetu
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Urolithin D sensitizes hepatocellular carcinoma to T-cell responses through downregulating ACOT7/PD-L1 axis
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteLi, Xiaolou; Luo, Qiong; Chen, Ying; Wei, Guangmin; Zhang, Lina
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Computational design and screening of novel dipeptide analogues as potent antileprotic agents against alanine racemase and ligase
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteSharma, Richa; Sharma, Riya; Nagarajan, Kandasamy; Bhardwaj, Snigdha; Tripathi, Arun Kumar; Shrivastava, Ajay Kumar; Kumar, Nikhil; Verma, Ankit; Goel, Richa
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From quantum chemistry to dynamics: Computational insights into Petrosin as a promising antidiabetic α-amylase inhibitor
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteBou-Salah, Leila; Linani, Abderahmane; Khalipha, Abul Bashar Ripon; Benarous, Khedidja; Kaouka, Alaeddine; Al Hasan, Md Sakib
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Automated detection of breast cancer using machine learning and deep learning models from tabular data
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteJaved, Hina; Abdullah; Saeed, Ali; ul Haque, Hafiz Mahfooz; Fatima, Zulaikha; Rodriguez, Jose Luis Oropeza; Sanchez-Mejorada, Carlos Guzman
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Mechanistic analysis of oral liquid in the treatment of asthma based on network pharmacology and machine learning
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-03-01
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PREAI
deleteRen, Yumei; Li, Zixi; Bai, Han; Li, Le; Jing, Xiaojin
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Investigation of the therapeutic targets of BanXia on astrocytes and neurons in stroke based on transcriptomics and network pharmacology
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-02-01
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PREAI
deleteLiu, Xiaohu; Hua, Hua; Liu, Jing; Wang, Pei; Li, Peng; Song, Huifang; Hussain, Rabia
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A comprehensive review: deep learning-powered revolution in antitumor drug research-exploring multimodal data integration and ethical governance framework
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-02-01
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deleteDong, Lei; Fang, Lingzhi; Peng, Wennuan; Yang, Xue
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Appraisal of antioxidant scavenging and antibiofilm capacities of pyrazolic, isoxazolic-based chalcones and aurones: Synthesis, molecular docking, simulation, and ADME properties
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-02-01
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deleteIrshad, Misbah; Ahmed, Mahmood; Aslam, Ali Abbas; Al Mughram, Mohammed H.; Khushi, Mehwish; Tajammal, Affifa; Irfan, Masooma; Muddassar, Muhammad
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Emerging DNA- and RNA-based therapeutic strategies in hepatocellular carcinoma: A molecular approach to precision medicine
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-02-01
delete1
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deleteNooreen, Zulfa; Wal, Ankita; Shukla, Anjali; Badarinath, A. Venkata; Kumar, Nishant; Sarma, Tanmay; Khan, Abida; Gasmi, Amin
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Rational design of novel 2-aminopyrido[3,4-d]pyrimidin-4-one derivatives as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors using 3D QSAR, docking, and molecular dynamics simulation approaches
deleteLETTERS IN DRUG DESIGN & DISCOVERY
IF1.6
delete2026-01-01
delete0
deleteOAAI
deleteBhatt, Shaival; Patel, Bushra; Patel, Ashna; Daftari, Sakshi; Bhatt, Hardik; Dalai, Sarat K.; Vyas, Vivek K.
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