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Molecular Diversity|June 4, 2026
Baicalin attenuates angiotensin II-induced vascular endothelial injury via targeted activation of the Nrf2 signaling pathway: Integrated computational and in vitro evidenceDongli Zhang, Qian Zheng, Liyan Zhang, et al.
Molecular Diversity|July 22, 2023
In vitro trypanocidal activities and structure-activity relationships of ciprofloxacin analogsHelena D Janse van Rensburg, Keisuke Suganuma, David D N'Da
Molecular Diversity|July 17, 2023
Elucidating the functional impact of G137V and G144R variants in Maroteaux Lamy's Syndrome by Molecular Dynamics SimulationN Madhana Priya, P Archana Pai, D Thirumal Kumar, et al.
Molecular Diversity|July 18, 2023
Identification of novel potential inhibitors of monkeypox virus thymidine kinase using molecular docking, molecular dynamics simulation and MM/PBSA methodsTooba Abdizadeh
Molecular Diversity|July 19, 2023
Scoparone chemical modification into semi-synthetic analogues featuring 3-substitution for their anti-inflammatory activityChetan Kumar, Pankaj Chibber, Ritu Painuli, et al.
Molecular Diversity|July 21, 2023
Machine learning-based classification models for non-covalent Bruton's tyrosine kinase inhibitors: predictive ability and interpretabilityGuo Li, Jiaxuan Li, Yujia Tian, et al.
Molecular Diversity|June 30, 2023
Exploration of interaction interface of TRKβ/BDNF through fingerprint analysis to disinter potential agonistsG N S Hemasree, Kshreeraja S Satish, Saraswathy Ganesan Rajalekshmi, et al.
Molecular Diversity|June 27, 2023
Discovery of novel flavonoid derivatives as potential dual inhibitors against α-glucosidase and α-amylase: virtual screening, synthesis, and biological evaluationTan Thanh Mai, Minh-Hoang Phan, Thao Thi Thai, et al.
Molecular Diversity|July 23, 2023
Computational prediction of phytochemical inhibitors against the cap-binding domain of Rift Valley fever virusIshwarya Muralitharan, Ajaya Kumar Sahoo, Priya Dharshini Augusthian, et al.
Molecular Diversity|July 7, 2023
Molecular iodine catalyzed C(sp2)-H sulfenylation of biologically active enaminone compounds under mechanochemical conditions and studies on their biocidal activity including molecular docking and DFTAminul Islam, Prasun Choudhury, Kaushik Sarkar, et al.
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