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Molecular Diversity|June 23, 2025
Machine learning-based QSAR and molecular modeling identify promising PTP1B modulators from Ocimum gratissimum for type 2 diabetes therapyOludare M Ogunyemi, Esther O Adeyeye, Oladimeji S Macaulay, et al.
Molecular Diversity|September 25, 2025
Discovery of potential RSV fusion protein inhibitors from benzimidazole derivatives using QSAR, molecular docking, and ADMET evaluation methodsYini Xie, Runqing Jia, Tengjiao Fan, et al.
Molecular Diversity|October 10, 2025
Identification of GPX3 as a key biomarker of placental ferroptosis in gestational diabetes mellitus via bioinformatics and clinical analysisPadmanaban M Abirami, K L Milan, M Anuradha, et al.
Molecular Diversity|September 27, 2025
Unveiling the anticancer potential of medicinal plants: metabolomics and analytical tools in phytomedicineNisha Bansal, Ali M Alaseem, Arockia M Babu, et al.
Molecular Diversity|May 17, 2025
First report on analysis of chemical space, scaffold diversity, critical structural features of HDAC11 inhibitorsRinki Prasad Bhagat, Jyotisha, Indrasis Dasgupta, et al.
Molecular Diversity|May 19, 2025
Synthesis, anti-tumor evaluation, and mechanistic investigation of 3-indolylpyrazole phenoxyacetamide derivatives against chronic myeloid leukemia cellsMengting Liu, Guiyun Wu, Yue Zhou, et al.
Molecular Diversity|May 16, 2025
Design and synthesis of stilbene analogs based on resveratrol as NF-κB inhibitors for the treatment of breast cancerShaojuan Fu, Yu Zhang, Yuanli Yang, et al.
Molecular Diversity|May 11, 2025
Structural insights of WBmDapE and deciphering of potent anti-filarial inhibitors: a state-of-art computational approachPoopandi Saritha, Nagarajan Hemavathy, Subramaniyan Sneha, et al.
Molecular Diversity|July 29, 2025
Identifying dormancy-associated enzymes in Mycobacterium tuberculosis through a computational pipeline integrating flux balance analysis and metabolic modelingMohd Imran, Ahmed S Alshrari, Abida Khan
Molecular Diversity|July 24, 2025
Design, synthesis and antifungal evaluation of perillaldehyde derivatives as potential laccase inhibitorsZhennan Cui, Yiming Zheng, Ning Ou, et al.
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