Azam, Syed Sikander published the artcileInvestigation of novel chemical inhibitors of human lysosomal acid lipase: virtual screening and molecular docking studies, Safety of 4-Morpholino-1,2,5-thiadiazol-3-ol, the publication is Combinatorial Chemistry & High Throughput Screening (2014), 17(5), 473-482, database is CAplus and MEDLINE.
In the current study, identification of new potent small inhibitors of human lysosomal acid lipase using structure-based methods has been reported. Virtual Screening (VS), compounds from literature and mol. docking studies were employed to find the suitable inhibitors against lysosomal acid lipase (LAL). Specifically for this study a homol. model of LipA enzyme was generated based on the structure of dog gastric lipase. As a result of structure-based virtual screening 28 inhibitors were identified from ZINC database. Rest of the inhibitors were selected from literature. Among the studied 65 inhibitors, compound having zinc ID ZINC15707335 exhibiting min. binding affinity and hydrogen bond and hydrophobic interactions with specific amino acid residues was selected as lead compound
Combinatorial Chemistry & High Throughput Screening published new progress about 30165-97-0. 30165-97-0 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Thiadiazole,Alcohol, name is 4-Morpholino-1,2,5-thiadiazol-3-ol, and the molecular formula is C6H9N3O2S, Safety of 4-Morpholino-1,2,5-thiadiazol-3-ol.
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