Concepedia

Molecular hybrids of substituted phenylcarbamoylpiperidine and 1,2,4-triazole methylacetamide as potent 15-LOX inhibitors: Design, synthesis, DFT calculations and molecular docking studies

Naheed Riaz, Muhammad Saleem, Ambar Iqbal, Syeda Abida Ejaz, Bushra Bashir, Saima Muzaffar, Muhammad Ashraf, Aziz-ur- Rehman, Muhammad Bilal, Bala Krishna Prabhala,

Bioorganic Chemistry · 2023 · 10 citations · 37 references

DOI

Concepts

References

37

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11.2K citations

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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

Daniel F. Veber, Stephen R. Johnson, Hung‐Yuan Cheng et al. · Journal of Medicinal Chemistry · 2002 · 8.1K citations

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Molecular dynamics---Scalable algorithms for molecular dynamics simulations on commodity clusters

K. J. Bowers, Federico D. Sacerdoti, John K. Salmon et al. · 2006 · 2.5K citations

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Genesis and development of DPPH method of antioxidant assay

Sagar B. Kedare, R. P. Singh · Journal of Food Science and Technology · 2011 · 2.1K citations · Full text

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