FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2334841842> ?p ?o ?g. }

• W2334841842 endingPage "13654" @default.
• W2334841842 startingPage "13644" @default.
• W2334841842 abstract "The present study focuses on the direct interaction of chemically modified tetracyclines (CMTs) with the active site of the matrix metalloproteinase 2 (MMP-2). Molecular docking, molecular dynamics (MD) simulations, and free energy calculations were accomplished for seven CMT derivatives. New sets of parameters are proposed for structural and catalytic zinc atoms in order to study MMPs and their complexes by means of the AMBER force field. Our computational results show that six CMTs studied bind to the catalytic zinc of the MMP-2 enzyme at the O11–O12 site as proposed experimentally. The exception was the CMT-3 analogue that is found embedding within the active site, enhancing the van der Waals and hydrophobic contacts with the hydrophobic S1′ pocket in the MMP-2 enzyme. The binding energy calculated in solution predicts the CMT-3 complexes as the most favorable, followed by the CMT-7 and CMT-8 analogues, respectively, which is in line with experimental findings. This work is the first step toward understanding the mechanism of CMTs as MMP inhibitors at a molecular level." @default.
• W2334841842 created "2016-06-24" @default.
• W2334841842 creator A5006956879 @default.
• W2334841842 creator A5014536242 @default.
• W2334841842 creator A5015029570 @default.
• W2334841842 creator A5048088473 @default.
• W2334841842 creator A5056186730 @default.
• W2334841842 date "2012-11-09" @default.
• W2334841842 modified "2023-10-18" @default.
• W2334841842 title "Chemically Modified Tetracyclines as Inhibitors of MMP-2 Matrix Metalloproteinase: A Molecular and Structural Study" @default.
• W2334841842 cites W1486467104 @default.
• W2334841842 cites W1971050902 @default.
• W2334841842 cites W1973423181 @default.
• W2334841842 cites W1975580333 @default.
• W2334841842 cites W1976161355 @default.
• W2334841842 cites W1979046104 @default.
• W2334841842 cites W1980618423 @default.
• W2334841842 cites W1982419486 @default.
• W2334841842 cites W1984738107 @default.
• W2334841842 cites W1987748412 @default.
• W2334841842 cites W1988517119 @default.
• W2334841842 cites W1996835322 @default.
• W2334841842 cites W2003968190 @default.
• W2334841842 cites W2005145035 @default.
• W2334841842 cites W2010084968 @default.
• W2334841842 cites W2014780608 @default.
• W2334841842 cites W2015688756 @default.
• W2334841842 cites W2015723183 @default.
• W2334841842 cites W2023271753 @default.
• W2334841842 cites W2023608346 @default.
• W2334841842 cites W2028483228 @default.
• W2334841842 cites W2028835439 @default.
• W2334841842 cites W2030460067 @default.
• W2334841842 cites W2032672550 @default.
• W2334841842 cites W2033273897 @default.
• W2334841842 cites W2035185226 @default.
• W2334841842 cites W2036073067 @default.
• W2334841842 cites W2037646736 @default.
• W2334841842 cites W2039740672 @default.
• W2334841842 cites W2040195084 @default.
• W2334841842 cites W2043628797 @default.
• W2334841842 cites W2048214699 @default.
• W2334841842 cites W2048563399 @default.
• W2334841842 cites W2050949360 @default.
• W2334841842 cites W2055337326 @default.
• W2334841842 cites W2061808708 @default.
• W2334841842 cites W2067478482 @default.
• W2334841842 cites W2069429410 @default.
• W2334841842 cites W2070913259 @default.
• W2334841842 cites W2075078225 @default.
• W2334841842 cites W2086957099 @default.
• W2334841842 cites W2088367177 @default.
• W2334841842 cites W2089356846 @default.
• W2334841842 cites W2095258584 @default.
• W2334841842 cites W2095397887 @default.
• W2334841842 cites W2100030276 @default.
• W2334841842 cites W2105249240 @default.
• W2334841842 cites W2105668062 @default.
• W2334841842 cites W2106140689 @default.
• W2334841842 cites W2117960153 @default.
• W2334841842 cites W2126734375 @default.
• W2334841842 cites W2130537267 @default.
• W2334841842 cites W2147540806 @default.
• W2334841842 cites W2147993766 @default.
• W2334841842 cites W2148401297 @default.
• W2334841842 cites W2149263899 @default.
• W2334841842 cites W2154806033 @default.
• W2334841842 cites W2324829995 @default.
• W2334841842 cites W2337120805 @default.
• W2334841842 cites W2503075260 @default.
• W2334841842 cites W4232156108 @default.
• W2334841842 cites W4250156218 @default.
• W2334841842 cites W582731769 @default.
• W2334841842 doi "https://doi.org/10.1021/jp3079748" @default.
• W2334841842 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23121406" @default.
• W2334841842 hasPublicationYear "2012" @default.
• W2334841842 type Work @default.
• W2334841842 sameAs 2334841842 @default.
• W2334841842 citedByCount "32" @default.
• W2334841842 countsByYear W23348418422013 @default.
• W2334841842 countsByYear W23348418422014 @default.
• W2334841842 countsByYear W23348418422015 @default.
• W2334841842 countsByYear W23348418422016 @default.
• W2334841842 countsByYear W23348418422017 @default.
• W2334841842 countsByYear W23348418422018 @default.
• W2334841842 countsByYear W23348418422019 @default.
• W2334841842 countsByYear W23348418422020 @default.
• W2334841842 countsByYear W23348418422021 @default.
• W2334841842 countsByYear W23348418422022 @default.
• W2334841842 countsByYear W23348418422023 @default.
• W2334841842 crossrefType "journal-article" @default.
• W2334841842 hasAuthorship W2334841842A5006956879 @default.
• W2334841842 hasAuthorship W2334841842A5014536242 @default.
• W2334841842 hasAuthorship W2334841842A5015029570 @default.
• W2334841842 hasAuthorship W2334841842A5048088473 @default.
• W2334841842 hasAuthorship W2334841842A5056186730 @default.
• W2334841842 hasConcept C10803110 @default.
• W2334841842 hasConcept C109523444 @default.

• next