• Archives of Pharmacal Research
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• v.22 no.1
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• pp.75-77
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• 1999

Two diterpenoid compounds, agastanol (1) and agastaquinone (2), were isolated from the roots of Agastache rugosa (Labiatae). Compound 1 and 2 showed significant inhibitory effects against human immunodeficiency virus type 1 (HIV-1) protease activity with $IC_{50}$ values of 360 and $87{\mu}M$, respectively.

• Natural Product Sciences
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• v.9 no.2
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• pp.49-51
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• 2003

The underground part of Rosa rugosa Thunb. has been used in Korean folk medicine for treating diabetes. The $^{1}H-NMR$ signal of procyanidin B3 isolated from Rosa rugosa was fully assigned by utilizing $^{1}H-^{1}H$ COSY. Procyandin B3 showed a moderate inhibitory activity against HIV-1 protease.

• Fisheries and Aquatic Sciences
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• v.13 no.1
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• pp.84-87
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• 2010

A peptide that inhibits HIV-1 protease was isolated from a hydrolysate of oyster (Crassostrea gigas) proteins digested with thermolysin. The peptide was using membrane filtration, gel permeation chromatography, ion exchange chromatography, and reverse-phase high performance liquid chromatography. Amino acid sequence of the peptide was determined to be Val-Phe-Glu-Leu. Chemically synthesized Val-Phe-Glu-Leu showed an $IC_{50}$ value of 106 ${\mu}M$.

• Bulletin of the Korean Chemical Society
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• v.17 no.1
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• pp.19-24
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• 1996

The potential energies of HIV-1 protease, inhibitor, and their complex have been calculated by molecular mechanics and the "binding energy", defined as the difference between the potential energy of complex and the sum of potential energies of HIV-1 protease and its inhibitor, has been compared to the free energy in inhibition reaction. The trend in these binding energies seems to agree with that in free energies.

• Advances in Traditional Medicine
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• v.3 no.1
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• pp.1-7
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• 2003

Some Korean plants were found to inhibit HIV-1 protease activity. The extracts of Acanthopanax koreanum (stem bark), Berchemia berchemiaefolia (stem), Berchemia berchemiaefolia (bark), Distylium racemosum (leaves), Distylium racemosum (stem), Lindera erythrocarpa (leaves), Physalis alkekengi var. francheti (root), Platycarya strobilacea (stem), Rodiola rosea (root), Rosa davurica (stem), Syringa dilatata (leaves), Viburnum awabuki (stem) and Viburnum awabuki (leaves) showed significant inhibitory effect against HIV-1 protease. Camelliatannin H from Camellia japonica and uvaol from Cratagus pinatrifida were potent active inhibitors of HIV-1 protease with $IC_{50}$ values of $0.9\;{\mu}M$ and $5.5\;{\mu}M$, respectively. The cure and prevention of AIDS have been a global challenge since it was discovered in the ealy 1980s. However, the development of anti-HIV agent that can effectively treat or prevent this disease are still demanded.

• Bulletin of the Korean Chemical Society
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• v.23 no.1
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• pp.27-28
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• 2002

• Preventive Nutrition and Food Science
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• v.5 no.3
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• pp.170-173
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• 2000

The inhibitory effect of extracts from 15 edible plants on the protease of human immunodeficiency virus (HIV) type 1 was investigated. Protease activity was determined by incubating the extracts in a reaction mixture containing protease and substrate His-Lys-Ala-Arg-Val-Leu-(p-NO$_2$-Phe)-Glu-Ala-Nle-Ser-NH$_2$ to inhibit proteolytic cleavage. Of various plants tested, the leaves of Cedrela sinensis inhibited the HIV-1 protease by 42% at a concentration of 100$\mu\textrm{g}$/ml. A major flavonoid isolated from the leaves of C. sinensis, quercetin 3-O-$\alpha$-L-rhamnoside showed inhibitory activity of 19% at a concentration of 100$\mu$M.

• Natural Product Sciences
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• v.6 no.3
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• pp.117-121
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• 2000

The water extract of the aerial parts of Orostachys japonicus A. Berger showed the inhibitory activity against HIV-1 protease. From the same parts of O. Japanicus, 4-hydroxybenzoic acid, 3,4-dihydroxybenzoic acid, gallic acid and methyl gallate, together with flavonoids, kaempferol, quercetin, kaempferol $3-O-{\beta}-D-glucoside$, kaempferol $3-O-{\beta}-D-galactoside$ and quercetin $3-O-{\beta}-D-glucoside$ were isolated and characterized by spectral data.

• Korean Journal of Oriental Medicine
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• v.10 no.1
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• pp.119-126
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• 2004

For the purpose of developing new anti-HIV agents from natural sources, the extracts of Solanum nigrum L. were tested for their inhibitory effects on HIV-1 replication and its essential enzymes as the reverse transcriptase (RT), protease and ${\alpha}$-glucosidase. In the assay of HIV-1-infected human T-cell line, water extracts inhibited the HIV- 1 -induced cytopathic effects with IC (inhibitory concentration) of 100 ug/ml. Moreover water extracts (100ug/ml) of aerial parts showed strong activity of 32.6% on anti-HIV-1 PR using the activity of the enzyme to cleave an oligopeptide. In the HIV-1 reverse transcriptase inhibition assay, aqueous extract a inhibited 17.4%, but no glucosidase inhibitory activities. We found out this result, for these samples it is possible that the inhibition of the viral replication in vitro is due to the inhibition at least one of PR and RT. It would be of great interest to identify the compounds which are responsible for this inhibition, since all therapeutically useful agent up to date are PR, RT and ${\alpha}$-glucosidase inhibitors.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.817-823
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• 2003

We have performed ab initio calculation on the active site of HIV-1 protease. The FEP method was used to determine the binding free energy of four different of protonated states of HIV-1 protease with inhibitor. The structure of the active site and hole structure was taken from the X-ray crystallographic coordinates of the C₂ symmetric inhibitor A74704 protease bound. The active site was modeled with the fragment molecules of binding pocket, acetic acid/ acetate anion (Asp25, Asp125), formamide (amide bond of Thr26/Gly27, Thr126/ Gly127), and methanol as inhibitor fragment. All possibly protonated states of the active site were considered, which were diprotonated state (0, 0), monoprotonated (-1, 0),(0, -1) and diunprotonated state (-1, -1). Once the binding energy Debind, of each model was calculated, more probabilistic protonated states can be proposed from binding energy. From ab-initio results, the FEP simulations were performed for the three following mutations: Ⅰ) Asp25 … Asp125 → AspH25 … Asp125, ⅱ) Asp25 … Asp125 → Asp25 … AspH125, ⅲ) AspH25 … Asp125 → AspH25 … AspH125. The free energy difference between the four states gives the information of the more realistic protonated state of active site aspartic acid. These results provide a theoretical prediction of the protonation state of the catalytic aspartic residues for A74707 complex, and may be useful for the evaluation of potential therapeutic targets.