Matches in SemOpenAlex for { <https://semopenalex.org/work/W4296346056> ?p ?o ?g. }
- W4296346056 endingPage "586" @default.
- W4296346056 startingPage "586" @default.
- W4296346056 abstract "SARS-CoV-2 is the causative agent of the COVID-19 pandemic. This in silico study aimed to elucidate therapeutic efficacies against SARS-CoV-2 of phyco-compounds from the seaweed, Ulva fasciata. Twelve phyco-compounds were isolated and toxicity was analyzed by VEGA QSAR. Five compounds were found to be nonmutagenic, noncarcinogenic and nontoxic. Moreover, antiviral activity was evaluated by PASS. Binding affinities of five of these therapeutic compounds were predicted to possess probable biological activity. Fifteen SARS-CoV-2 target proteins were analyzed by the AutoDock Vina program for molecular docking binding energy analysis and the 6Y84 protein was determined to possess optimal binding affinities. The Desmond program from Schrödinger's suite was used to study high performance molecular dynamic simulation properties for 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-6Y84 for better drug evaluation. The ligand with 6Y84 had stronger binding affinities (-5.9 kcal/mol) over two standard drugs, Chloroquine (-5.6 kcal/mol) and Interferon α-2b (-3.8 kcal/mol). Swiss ADME calculated physicochemical/lipophilicity/water solubility/pharmacokinetic properties for 3,7,11,15-Tetramethyl-2-hexadecen-1-ol, showing that this therapeutic agent may be effective against SARS-CoV-2." @default.
- W4296346056 created "2022-09-20" @default.
- W4296346056 creator A5002079633 @default.
- W4296346056 creator A5007157661 @default.
- W4296346056 creator A5008898992 @default.
- W4296346056 creator A5012153665 @default.
- W4296346056 creator A5023613989 @default.
- W4296346056 creator A5043577597 @default.
- W4296346056 creator A5044784780 @default.
- W4296346056 creator A5056741879 @default.
- W4296346056 creator A5061201872 @default.
- W4296346056 creator A5078341859 @default.
- W4296346056 creator A5079546270 @default.
- W4296346056 date "2022-09-19" @default.
- W4296346056 modified "2023-09-30" @default.
- W4296346056 title "Marine Alga Ulva fasciata-Derived Molecules for the Potential Treatment of SARS-CoV-2: An In Silico Approach" @default.
- W4296346056 cites W124822842 @default.
- W4296346056 cites W1561210178 @default.
- W4296346056 cites W1963987879 @default.
- W4296346056 cites W1964976889 @default.
- W4296346056 cites W1965342213 @default.
- W4296346056 cites W1971513938 @default.
- W4296346056 cites W1977121713 @default.
- W4296346056 cites W1985550654 @default.
- W4296346056 cites W1994145905 @default.
- W4296346056 cites W1996589717 @default.
- W4296346056 cites W2022966173 @default.
- W4296346056 cites W2027484375 @default.
- W4296346056 cites W2032049376 @default.
- W4296346056 cites W2037752106 @default.
- W4296346056 cites W2039083503 @default.
- W4296346056 cites W2041800570 @default.
- W4296346056 cites W2043509228 @default.
- W4296346056 cites W2048396271 @default.
- W4296346056 cites W2050027039 @default.
- W4296346056 cites W2061800084 @default.
- W4296346056 cites W2063647527 @default.
- W4296346056 cites W2068498799 @default.
- W4296346056 cites W2069336305 @default.
- W4296346056 cites W2080447388 @default.
- W4296346056 cites W2080708468 @default.
- W4296346056 cites W2081155468 @default.
- W4296346056 cites W2085663480 @default.
- W4296346056 cites W2088387954 @default.
- W4296346056 cites W2102479939 @default.
- W4296346056 cites W2126662293 @default.
- W4296346056 cites W2132260239 @default.
- W4296346056 cites W2136750065 @default.
- W4296346056 cites W2236963384 @default.
- W4296346056 cites W2266013672 @default.
- W4296346056 cites W2269544137 @default.
- W4296346056 cites W2345340078 @default.
- W4296346056 cites W2379628571 @default.
- W4296346056 cites W2396930286 @default.
- W4296346056 cites W2399237148 @default.
- W4296346056 cites W2416348239 @default.
- W4296346056 cites W2505744648 @default.
- W4296346056 cites W2557877458 @default.
- W4296346056 cites W2593436234 @default.
- W4296346056 cites W2607333556 @default.
- W4296346056 cites W2757955078 @default.
- W4296346056 cites W2762959304 @default.
- W4296346056 cites W2797787555 @default.
- W4296346056 cites W2806755710 @default.
- W4296346056 cites W2898293688 @default.
- W4296346056 cites W2914616021 @default.
- W4296346056 cites W2970628659 @default.
- W4296346056 cites W2979023383 @default.
- W4296346056 cites W2986091153 @default.
- W4296346056 cites W3001456238 @default.
- W4296346056 cites W3002108456 @default.
- W4296346056 cites W3004318991 @default.
- W4296346056 cites W3008142620 @default.
- W4296346056 cites W3009335299 @default.
- W4296346056 cites W3009912996 @default.
- W4296346056 cites W3010441732 @default.
- W4296346056 cites W3012352458 @default.
- W4296346056 cites W3012495758 @default.
- W4296346056 cites W3013855790 @default.
- W4296346056 cites W3014128886 @default.
- W4296346056 cites W3021411957 @default.
- W4296346056 cites W3021439445 @default.
- W4296346056 cites W3023594261 @default.
- W4296346056 cites W3023894494 @default.
- W4296346056 cites W3023939517 @default.
- W4296346056 cites W3024854102 @default.
- W4296346056 cites W3032519598 @default.
- W4296346056 cites W3036533319 @default.
- W4296346056 cites W3036932243 @default.
- W4296346056 cites W3038661047 @default.
- W4296346056 cites W3041675208 @default.
- W4296346056 cites W3044455884 @default.
- W4296346056 cites W3045038743 @default.
- W4296346056 cites W3045267602 @default.
- W4296346056 cites W3047049280 @default.
- W4296346056 cites W3090711628 @default.
- W4296346056 cites W3092125766 @default.
- W4296346056 cites W3097145107 @default.