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Molecular Diversity|April 27, 2024
Antiangiogenic potential of phytochemicals from Clerodendrum inerme (L.) Gaertn investigated through in silico and quantum computational methodsNusrath Yasmeen, Anis Ahmad Chaudhary, Salauddin Khan, et al.
Molecular Diversity|June 21, 2024
Biocomputational screening of natural compounds targeting 15-hydroxyprostaglandin dehydrogenase to improve skeletal muscle during agingSyed Sayeed Ahmad, Jeong Ho Lim, Inho Choi, et al.
Molecular Diversity|June 20, 2024
Employing advanced computational drug discovery techniques to identify novel inhibitors against ML2640c protein: a potential therapeutic approach for combatting leprosyRima Bhardwaj, Avinash Singh Thounaojam
Molecular Diversity|June 4, 2024
Discovery of a novel DYRK1A inhibitor with neuroprotective activity by virtual screening and in vitro biological evaluationXinxin Si, Chenliang Qian, Nianzhuang Qiu, et al.
Molecular Diversity|April 25, 2024
Integrated machine learning-based virtual screening and biological evaluation for identification of potential inhibitors against cathepsin KShahid Parwez, Animesh Chaurasia, Pinaki Parsad Mahapatra, et al.
Molecular Diversity|May 28, 2024
Computational study on the binding mechanism of allosteric drug TNO155 inhibiting SHP2E76ALonghua Yang, Huijian Zhao, Fanru Yuan, et al.
Molecular Diversity|May 26, 2024
An in silico approach to identify novel and potential Akt1 (protein kinase B-alpha) inhibitors as anticancer drugsUmadevi Etikyala, Rajkumar Reddyrajula, T Vani, et al.
Molecular Diversity|May 25, 2024
Unravelling the molecular mechanistic pathway underlying the anticancer effects of kaempferol in colorectal cancer: a reverse pharmacology network approachP Priyamvada, Gayathri Ashok, Tushar Joshi, et al.
Molecular Diversity|May 6, 2024
Development of novel nitric oxide production inhibitors based on the 7H-pyrrolo[2,3-d]pyrimidine scaffoldJie Zhang, Xin Xie, Tingsheng Qin, et al.
Molecular Diversity|May 3, 2024
Sinefungin analogs targeting VP39 methyltransferase as potential anti-monkeypox therapeutics: a multi-step computational approachAmr S Abouzied, Bader Huwaimel, Saad Alqarni, et al.
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