Search Results - "structure–activity relationship"

Oxadiazole derivatives: Histone deacetylase inhibitors in anticancer therapy and drug discovery by Balaji Wamanrao Matore, Purusottam Banjare, Tanmoy Guria, Partha Pratim Roy, Jagadish Singh

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The effects of cinnamaldehyde and eugenol on human adipose-derived mesenchymal stem cells viability, growth and differentiation: a cheminformatics and in vitro study by Abdorrahim Absalan, Seyed Alireza Mesbah-Namin, Taki Tiraihi, Taher Taheri

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Triarylmethanes, a new class of Cx50 inhibitors by SILKE eBODENDIEK, CLIO eRUBINOS, MARIA PILAR TRELLES, DAVID eJENKINS, NICHOLE eCOLEMAN, Heike eWulff, MIDUTURU eSRINIVAS

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The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study by Mateus Sá Magalhães Serafim, Mateus Sá Magalhães Serafim, Simone Queiroz Pantaleão, Elany Barbosa da Silva, James H. McKerrow, Anthony J. O'Donoghue, Bruno Eduardo Fernandes Mota, Kathia Maria Honorio, Kathia Maria Honorio, Vinícius Gonçalves Maltarollo

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Editorial: Chemistry, toxicity, synthesis, biological and pharmacological activities of coumarins and their derivatives: recent advances and future perspectives by Ahmed Olatunde, Habibu Tijjani, Adeyemi Oladapo Aremu, Adeyemi Oladapo Aremu, Abdur Rauf, Hafiz A. R. Suleria, Mohammad S. Mubarak

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Antidiabetic, Antioxidant, Antibacterial, and Antifungal Activities of Vanadyl Schiff Base Complexes by Susan Torabi, Mohsen Mohammadi, Marzieh Shirvani

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African Medicinal Plants that Can Control or Cure Tuberculosis by Philip Ifesinachi Anochie, Bakoh Ndingkokhar, Juan Bueno, Felix Emeka Anyiam, Linus Ndidi Ossai- Chidi, Edwina Chinwe Onyeneke, Anthony Chidiebere Onyeozirila

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Synthesis, In Vitro α-Glucosidase Inhibitory Activity and Molecular Docking Study of New Benzotriazole-Based Bis-Schiff Base Derivatives by Imran Khan, Wajid Rehman, Fazal Rahim, Rafaqat Hussain, Shoaib Khan, Srosh Fazil, Liaqat Rasheed, Muhammad Taha, Syed Adnan Ali Shah, Magda H. Abdellattif, Thoraya A. Farghaly

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Combined docking and machine learning identify key molecular determinants of ligand pharmacological activity on β2 adrenoceptor by Mireia Jiménez‐Rosés, Bradley Angus Morgan, Maria Jimenez Sigstad, Thuy Duong Zoe Tran, Rohini Srivastava, Asuman Bunsuz, Leire Borrega‐Román, Pattarin Hompluem, Sean A. Cullum, Clare R. Harwood, Eline J. Koers, David A. Sykes, Iain B. Styles, Dmitry B. Veprintsev

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Development of Prediction Models for Drug-Induced Cholestasis, Cirrhosis, Hepatitis, and Steatosis Based on Drug and Drug Metabolite Structures by Hyun Kil Shin, Myung-Gyun Kang, Daeui Park, Daeui Park, Tamina Park, Tamina Park, Seokjoo Yoon, Seokjoo Yoon

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Three-Carbon Linked Dihydroartemisinin-Isatin Hybrids: Design, Synthesis and Their Antiproliferative Anticancer Activity by Min Dong, Guili Zheng, Feng Gao, Min Li, Chen Zhong

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Development and validation of PAMPA-BBB QSAR model to predict brain penetration potential of novel drug candidates by Rintaro Kato, Wenyu Zeng, Vishal B. Siramshetty, Jordan Williams, Md Kabir, Natalie Hagen, Elias C. Padilha, Amy Q. Wang, Ewy A. Mathé, Xin Xu, Pranav Shah

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Identification of a Class of WNK Isoform-Specific Inhibitors Through High-Throughput Screening by Chlebowicz J, Akella R, Humphreys JM, He H, Kannangara AR, Wei S, Posner B, Goldsmith EJ

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Antidiabetic, Antioxidant, Antibacterial, and Antifungal Activities of Vanadyl Schiff Base Complexes by Susan Torabi, Mohsen Mohammadi, Marzieh Shirvani

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Expanding the Biological Properties of Alkannins and Shikonins: Their Impact on Adipogenesis and Life Expectancy in Nematodes by Athanasios S. Arampatzis, Olga Tsave, Benjamin Kirchweger, Julia Zwirchmayr, Vassilios P. Papageorgiou, Judith M. Rollinger, Andreana N. Assimopoulou

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Isolation, bioassay and 3D-QSAR analysis of 8-isopentenyl flavonoids from Epimedium sagittatum maxim. as PDE5A inhibitors by Juntao Li, Yue Wu, Xinxin Yu, Xinyu Zheng, Jiechen Xian, Senjie Li, Wanyin Shi, Yun Tang, Zhe-Sheng Chen, Guixia Liu, Shen Yao, Jian Xu, Xiangwei Zheng

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Log P Determines Licorice Flavonoids Release Behaviors and Classification from CARBOMER Cross-Linked Hydrogel by Zhuxian Wang, Yi Hu, Yaqi Xue, Zhaoming Zhu, Yufan Wu, Quanfu Zeng, Yuan Wang, Chunyan Shen, Qun Shen, Cuiping Jiang, Li Liu, Hongxia Zhu, Qiang Liu

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Gaultheria leucocarpa var. yunnanensis for Treating Rheumatoid Arthritis-An Assessment Combining Machine Learning-Guided ADME Properties Prediction, Network Pharmacology, and Pharm... by Xiuhuan Wang, Xiuhuan Wang, Youyi Sun, Ling Ling, Xueyang Ren, Xueyang Ren, Xiaoyun Liu, Xiaoyun Liu, Yu Wang, Yu Wang, Ying Dong, Ying Dong, Jiamu Ma, Jiamu Ma, Ruolan Song, Ruolan Song, Axiang Yu, Axiang Yu, Jing Wei, Jing Wei, Qiqi Fan, Qiqi Fan, Miaoxian Guo, Tiantian Zhao, Rina Dao, Gaimei She, Gaimei She

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Synthesis of some bis-triazole derivatives as probes for cytotoxicity study by Mohammad Al-Amin, M. Rabiul Islam

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In silico toxicology - non-testing methods by Hannu eRaunio

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