Structure based design, stability study and synthesis of the dinitrophenylhydrazone derivative of the oxidation product of lanosterol as a potential P. falciparum transketolase inhibitor and in-vivo antimalarial study

Fadare, Olatomide A.; Omisore, N. O.; Adegbite, Oluwaseun B.; Awofisayo, Oladoja; Ogundolie, Frank Abimbola; Adesanwo, Julius K.; Obafemi, Craig A.

doi:10.1007/s40203-021-00097-8

Cited by 5 publications

(3 citation statements)

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“…20–22 Use of a methyltriphenylphosphonium perruthenate catalyst MTP3 (a more stable analogue of TPAP) 23,24 with N -methylmorpholine N -oxide (NMO) as a co-oxidant gave lanosten-3-one ( 5a ) in better yield (77%) than other reported methods (62–70%). 25,26…”

Section: Resultsmentioning

confidence: 99%

“…[20][21][22] Use of a methyltriphenylphosphonium perruthenate catalyst MTP3 (a more stable analogue of TPAP) 23,24 with N-methylmorpholine N-oxide (NMO) as a co-oxidant gave lanosten-3-one (5a) in better yield (77%) than other reported methods (62-70%). 25,26 Oximation followed by a so-called abnormal Beckmann rearrangement gave the seconitrile 7a in 55% yield, as a mixture with the 24,25-dihydroseconitrile 7b derived from 1b in the commercial mixture. 21,27 Scission of the steroidal A-ring to the olefinic nitrile was confirmed through extensive NMR analysis of 7a and 7b, and an X-ray structure of 7b (Fig.…”

Section: Resultsmentioning

confidence: 99%

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Synthesis of obtusifoliol and analogues as CYP51 substrates

2022

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confidence: 99%

Section: Resultsmentioning

confidence: 99%

Synthesis of obtusifoliol and analogues as CYP51 substrates

2022

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“…The ligand topology le was prepared using the swissparam online server (https://www.swissparam.ch/). MD method is earlier described by (Fadare et al 2021) ([CSL STYLE ERROR: reference with no printed form. ]).…”

Section: Molecular Dynamics Simulationmentioning

confidence: 99%

In silico and In vitro Antibacterial Activity of Essential oil of Eucalyptus globulus Labill

Salaria,

Rolta,

Prakash

et al. 2023

Preprint

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Eucalyptus globulus Labill. Traditionally used as disinfectant, fumigant, insect repellent, it is also used to cure asthma, bronchitis, arthritis, boils etc. The current research is focused on to study the in vitro and in silico antibacterial activity of Eucalyptus globulus essential oil. Essential oil of Eucalyptus globulus was extracted by hydro-distillation method and characterized by GC-MS. In vitro antibacterial activity was done by using agar well diffusion and broth microdillution method. Further the antibacterial activity was predicted in silico by using Autodock vina. Essential oil extraction yield of Eucalyptus globulus leaves was found to be 2.13 ± 0.115%. Total seventeen mono- and sesqui-terpenoids were identified in essential oil, of which eucalyptol (60.327), D-limonene (6.964), terpinyl-acetate (3.564) and gamma gurjunene (2.505%) were the major constituents. Essential oil of Eucalyptus globulus showed significant antibacterial activity against Clinical strains of Escherichia coli, Staphylococcus aureus and Methicillin-resistant Staphylococcus with minimum inhibitory concentration values of 0.125, 0.125 and 0.3125% respectively. In molecular docking study, γ-gurjunine showed good binding energy with penicillin binding protein (3VSL) and MD simulation confirmed the stability of protein ligand complex. Essential oil of Eucalyptus globulus has good antibacterial activity against clinical strains of grams positive and grams negative bacteria. Essential oil of Eucalyptus globulus can be used as antibacterial agent with addition of in vitro and in vivo toxicity.

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