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Molecular Diversity|July 7, 2023
Multinomial classification of NLRP3 inhibitory compounds based on large scale machine learning approachesMuhammad Ishfaq, Syed Zahid Ali Shah, Ijaz Ahmad, et al.
Molecular Diversity|March 18, 2026
Cu-catalyzed deaminative thiocyanation of anilines via nitrate reductionYong-Sheng Zhou, Yan Yang, Jing-Yao Zhou, et al.
Molecular Diversity|May 9, 2026
Structure-guided design and synthesis of Etoricoxib analogues for selective COX-2 inhibition: in vitro assessment and computational insights with prospective in vivo confirmationMohammed H Alqarni, Mohamed K Elgohary, Mahmoud Abdelrahman Alkabbani, et al.
Molecular Diversity|May 9, 2026
Molecularly diverse lonazolac-inspired pyrazole-cyanopyridin-2-one conjugates: design, synthesis, in vitro, in vivo and in silico studies as multi-target anti-inflammatory agentsMarwa A Aziz, Azizah M Malebari, Tarek S Ibrahim, et al.
Molecular Diversity|May 9, 2026
Differential response of HER2 - and HER2 + breast cancer cells to quinazoline and triazole derivatives: advancing receptor subtype-specific phytochemical targetingJitender Singh, Pramod K Avti, Krishan L Khanduja, et al.
Molecular Diversity|June 15, 2026
Recent trends in anti-Alzheimer's potential of novel biologically active isatin analogues: synthetic strategies, structural activity relationship studies and molecular docking insightsRajarshi Nath, Anhic Chakraborty, Md Jawaid Akhtar, et al.
Molecular Diversity|August 26, 2023
Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic studyS H Rashmi, K Sai Disha, N Sudheesh, et al.
Molecular Diversity|July 14, 2026
Deep learning-driven discovery of anti-metastatic phytochemicals targeting MMP-1 in breast cancer via advanced contrastive learning and structural attentionV Shunmuga Priya, S Mariaamalraj, S Asha, et al.
Molecular Diversity|July 11, 2026
From inhibition to degradation: advances in highly selective targeting strategies for HPK1Longbin Yu, Rui Yan, Yashi Li, et al.
Molecular Diversity|June 25, 2026
Towards selecting the virtual series of molecules using the central fragment via R-FBDD at the early stages of drug discoveryVasily D Myazin, Dmitry A Shulga, Nikita N Ivanov, et al.
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