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• W4313582662 endingPage "474" @default.
• W4313582662 startingPage "474" @default.
• W4313582662 abstract "Broadly neutralizing antibodies (bNAbs) are potent in neutralizing a wide range of HIV strains. VRC01 is a CD4-binding-site (CD4-bs) class of bNAbs that binds to the conserved CD4-binding region of HIV-1 envelope (env) protein. Natural products that mimic VRC01 bNAbs by interacting with the conserved CD4-binding regions may serve as a new generation of HIV-1 entry inhibitors by being broadly reactive and potently neutralizing. This study aimed to identify compounds that mimic VRC01 by interacting with the CD4-bs of HIV-1 gp120 and thereby inhibiting viral entry into target cells. Libraries of purchasable natural products were virtually screened against clade A/E recombinant 93TH057 (PDB: 3NGB) and clade B (PDB ID: 3J70) HIV-1 env protein. Protein-ligand interaction profiling from molecular docking and dynamics simulations showed that the compounds had intermolecular hydrogen and hydrophobic interactions with conserved amino acid residues on the CD4-binding site of recombinant clade A/E and clade B HIV-1 gp120. Four potential lead compounds, NP-005114, NP-008297, NP-007422, and NP-007382, were used for cell-based antiviral infectivity inhibition assay using clade B (HXB2) env pseudotype virus (PV). The four compounds inhibited the entry of HIV HXB2 pseudotype viruses into target cells at 50% inhibitory concentrations (IC50) of 15.2 µM (9.7 µg/mL), 10.1 µM (7.5 µg/mL), 16.2 µM (12.7 µg/mL), and 21.6 µM (12.9 µg/mL), respectively. The interaction of these compounds with critical residues of the CD4-binding site of more than one clade of HIV gp120 and inhibition of HIV-1 entry into the target cell demonstrate the possibility of a new class of HIV entry inhibitors." @default.
• W4313582662 created "2023-01-06" @default.
• W4313582662 creator A5021148246 @default.
• W4313582662 creator A5026883264 @default.
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• W4313582662 creator A5027716268 @default.
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• W4313582662 creator A5070522250 @default.
• W4313582662 creator A5074033447 @default.
• W4313582662 creator A5081544451 @default.
• W4313582662 date "2023-01-04" @default.
• W4313582662 modified "2023-09-25" @default.
• W4313582662 title "Structure-Based Identification of Natural-Product-Derived Compounds with Potential to Inhibit HIV-1 Entry" @default.
• W4313582662 cites W1031578623 @default.
• W4313582662 cites W1482971402 @default.
• W4313582662 cites W1498305210 @default.
• W4313582662 cites W1590876968 @default.
• W4313582662 cites W1774721170 @default.
• W4313582662 cites W1887624773 @default.
• W4313582662 cites W1933773138 @default.
• W4313582662 cites W1969828375 @default.
• W4313582662 cites W1971513938 @default.
• W4313582662 cites W1977014455 @default.
• W4313582662 cites W1985722970 @default.
• W4313582662 cites W1986159600 @default.
• W4313582662 cites W1990745725 @default.
• W4313582662 cites W1992566288 @default.
• W4313582662 cites W1994718842 @default.
• W4313582662 cites W1996636308 @default.
• W4313582662 cites W2009761723 @default.
• W4313582662 cites W2009979602 @default.
• W4313582662 cites W2024353108 @default.
• W4313582662 cites W2029667189 @default.
• W4313582662 cites W2031720554 @default.
• W4313582662 cites W2032395580 @default.
• W4313582662 cites W2033203682 @default.
• W4313582662 cites W2038194012 @default.
• W4313582662 cites W2039881406 @default.
• W4313582662 cites W2040506631 @default.
• W4313582662 cites W2043504284 @default.
• W4313582662 cites W2051587128 @default.
• W4313582662 cites W2051642542 @default.
• W4313582662 cites W2051775752 @default.
• W4313582662 cites W2060173716 @default.
• W4313582662 cites W2074473216 @default.
• W4313582662 cites W2080089116 @default.
• W4313582662 cites W2081313987 @default.
• W4313582662 cites W2098781795 @default.
• W4313582662 cites W2101099825 @default.
• W4313582662 cites W2102380386 @default.
• W4313582662 cites W2105649494 @default.
• W4313582662 cites W2105844209 @default.
• W4313582662 cites W2113236498 @default.
• W4313582662 cites W2118274231 @default.
• W4313582662 cites W2118545611 @default.
• W4313582662 cites W2126615040 @default.
• W4313582662 cites W2134967712 @default.
• W4313582662 cites W2135151522 @default.
• W4313582662 cites W2142456569 @default.
• W4313582662 cites W2147479689 @default.
• W4313582662 cites W2147533449 @default.
• W4313582662 cites W2157210912 @default.
• W4313582662 cites W2157643243 @default.
• W4313582662 cites W2163240555 @default.
• W4313582662 cites W2166378435 @default.
• W4313582662 cites W2167867167 @default.
• W4313582662 cites W2169678694 @default.
• W4313582662 cites W2223479601 @default.
• W4313582662 cites W2256742438 @default.
• W4313582662 cites W2299902143 @default.
• W4313582662 cites W2312419943 @default.
• W4313582662 cites W2332167798 @default.
• W4313582662 cites W2343862396 @default.
• W4313582662 cites W2399237148 @default.
• W4313582662 cites W2557191642 @default.
• W4313582662 cites W2568617656 @default.
• W4313582662 cites W2593436234 @default.
• W4313582662 cites W2609070191 @default.
• W4313582662 cites W2702177082 @default.
• W4313582662 cites W2750272252 @default.
• W4313582662 cites W2768623425 @default.
• W4313582662 cites W2769533173 @default.
• W4313582662 cites W2772045429 @default.
• W4313582662 cites W2785092601 @default.
• W4313582662 cites W2788692460 @default.
• W4313582662 cites W2800748294 @default.
• W4313582662 cites W2801088198 @default.
• W4313582662 cites W2807328666 @default.
• W4313582662 cites W2808943444 @default.
• W4313582662 cites W2885259377 @default.
• W4313582662 cites W2886939453 @default.
• W4313582662 cites W2905369474 @default.
• W4313582662 cites W2927624929 @default.
• W4313582662 cites W2931896522 @default.
• W4313582662 cites W2947907807 @default.
• W4313582662 cites W2972272216 @default.
• W4313582662 cites W2997644173 @default.

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