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Molecular Diversity|June 23, 2022
Discovery of potential mTOR inhibitors from Cichorium intybus to find new candidate drugs targeting the pathological protein related to the breast cancer: an integrated computational approachHezha O Rasul, Bakhtyar K Aziz, Dlzar D Ghafour, et al.
Molecular Diversity|June 23, 2022
In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2) (6M0J)Konstantinos G Kalamatianos
Molecular Diversity|December 30, 2022
Catalyst-free synthesis of highly functionalized triazole hexahydroquinoline carbohydrazide scaffolds via four-component cyclocondensation reactionHasti Amorzesh, Mohammad Bayat, Shima Nasri
Molecular Diversity|January 19, 2023
Spectroscopic, crystal structure and DFT-assisted studies of some nickel(II) chelates of a heterocyclic-based NNO donor aroylhydrazone: in vitro DNA binding and docking studiesYamuna Nair, Francis Joy, T P Vinod, et al.
Molecular Diversity|January 13, 2023
LGBM-ACp: an ensemble model for anticancer peptide prediction and in silico screening with potential drug targetsSwarnava Garai, Juanit Thomas, Palash Dey, et al.
Molecular Diversity|January 7, 2023
Recent synthetic strategies of small heterocyclic organic molecules with optoelectronic applications: a reviewRamsha Iftikhar, Faiza Zahid Khan, Naila Naeem
Molecular Diversity|January 13, 2021
Synthesis of new chrysin derivatives with substantial antibiofilm activitySukhen Bhowmik, Pragya Anand, Riyanki Das, et al.
Molecular Diversity|July 1, 2021
In silico prediction of chemical-induced hematotoxicity with machine learning and deep learning methodsYuqing Hua, Yinping Shi, Xueyan Cui, et al.
Molecular Diversity|June 23, 2021
Discovery of novel DGAT1 inhibitors by combination of machine learning methods, pharmacophore model and 3D-QSAR modelHui Zhang, Chen Shen, Hong-Rui Zhang, et al.
Molecular Diversity|May 31, 2022
Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular dynamics simulation, network pharmacologyDipta Dey, Rajib Hossain, Partha Biswas, et al.
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