- MAGL inhibitor and preparation method and application thereof
-
The invention belongs to the field of medicines, and relates to a compound and a pharmaceutically acceptable salt thereof, a preparation method thereof, intermediates for the preparation thereof, compositions containing the compounds or the salt, and thei
- -
-
Paragraph 0046-0048
(2020/08/30)
-
- 1-(Piperidin-4-yl)-2-benzimidazolone compounds and application thereof
-
The invention belongs to the technical field of medicines, and relates to novel 1-(piperidin-4-yl)-2-benzimidazolone compounds, a composition containing the compounds, and a use of the compounds or the composition as human immunodeficiency virus (HIV ) integrase inhibitor. The compounds are used for the antiviral treatment of 2-or-more-years-old HIV-infected persons. The above drugs act on HIV integrase to prevent HIV replication in order to reduce the HIV viral load in blood. The structure of the compounds is represented by general formula (I), and R1 and R2 in the general formula (I) are asdefined in the claims and the description.
- -
-
Paragraph 0040; 0043
(2018/03/26)
-
- NOVEL BACTERIOSTATIC OR ANTIBACTERIAL AGENT
-
PROBLEM TO BE SOLVED: To provide a food-derived bacteriostatic or antibacterial substance having effect on pathogenic bacteria, and a plant pathogen inhibitor and an infection preventive agent for humans, domestic animals and the like which comprise the same as an active ingredient. SOLUTION: This invention provides a novel bacteriostatic or antibacterial agent which comprises, as an active ingredient, a compound in which amino acid is bonded to cyclohexane carboxylic acid by means of an amide linkage and a salt thereof, with the compound represented by formula (1) where R represents neutral or acidic amino acid side chain. COPYRIGHT: (C)2015,JPOandINPIT
- -
-
Paragraph 0030
(2016/11/28)
-
- Monoenomycin: A simplified trienomycin A analogue that manifests anticancer activity
-
Macrocyclic natural products are a powerful class of leadlike chemical entities. Despite commonly violating Lipinski's "rule of 5", these compounds often demonstrate superior druglike physicochemical and pharmacokinetic attributes when compared to their acyclic counterparts. However, the elaborate structural architectures of such molecules require rigorous synthetic investigation that complicates analogue development and their application to drug discovery programs. To circumvent these limitations, a conformation-based approach using limited structure-activity relationships and molecular modeling was implemented to design simplified analogues of trienomycin A, in which the corresponding analogues could be prepared in a succinct manner to rapidly identify essential structural components necessary for biological activity. Trienomycin A is a member of the ansamycin family of natural products that possesses potent anticancer activity. These studies revealed a novel trienomycin A analogue, monoenomycin, which manifests potent anticancer activity.
- Brandt, Gary E. L.,Blagg, Brian S. J.
-
supporting information; experimental part
p. 735 - 740
(2011/12/02)
-
- PYRONE COMPOUND AND ITS USE FOR PEST CONTROL
-
A pyrone compound represented by formula (1) has an excellent controlling effect on pests. Since the compound of formula (1) has a controlling activity on pests, the compound is useful as an active ingredient of a pest control agent.
- -
-
Page/Page column 284
(2011/05/06)
-
- Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors
-
Virtual and high-throughput screens (HTS) should have complementary strengths and weaknesses, but studies that prospectively and comprehensively compare them are rare. We undertook a parallel docking and HTS screen of 197861 compounds against cruzain, a thiol protease target for Chagas disease, looking for reversible, competitive inhibitors. On workup, 99% of the hits were eliminated as false positives, yielding 146 well-behaved, competitive ligands. These fell into five chemotypes: two were prioritized by scoring among the top 0.1% of the docking-ranked library, two were prioritized by behavior in the HTS and by clustering, and one chemotype was prioritized by both approaches. Determination of an inhibitor/cruzain crystal structure and comparison of the high-scoring docking hits to experiment illuminated the origins of docking false-negatives and false-positives. Prioritizing molecules that are both predicted by docking and are HTS-active yields well-behaved molecules, relatively unobscured by the false-positives to which both techniques are individually prone.
- Ferreira, Rafaela S.,Simeonov, Anton,Jadhav, Ajit,Eidam, Oliv,Mott, Bryan T.,Keiser, Michael J.,McKerrow, James H.,Maloney, David J.,Irwin, John J.,Shoichet, Brian K.
-
supporting information; experimental part
p. 4891 - 4905
(2010/10/19)
-
- Amino acid derived heterocycles: Lewis acid catalyzed and radical cyclizations from peptide acetals
-
Bicyclization of peptide acetals via nucleophilic attack of a phenyl group on an endocyclic acyliminium ion 4 was explored as a route to novel amino acid derived heterocycles and peptidomimetic scaffolds. In the presence of protic acid, bridged structures such as 6 are formed readily from phenylalanine derivatives, but the fused-ring analogues 5 could not be obtained in good yield. In contrast, radical cyclization of the bromophenyl dihydropyrazinone 7 provides an effective alternative for the synthesis of 5 (n = 0, 1, 2). Additional versatility in this process was demonstrated by efficient synthesis of a different fused ring system, represented by the antihelmintic praziquantel, 8.
- Todd, Matthew H.,Ndubaku, Chudi,Bartlett, Paul A.
-
p. 3985 - 3988
(2007/10/03)
-
- Synthesis of cyclohexane containing 5′-O-Glycine derivatives of uridine as potential inhibitors of UDP-glucuronosyltransferase
-
Summary. In order to design potential inhibitors of UDP-glucuronosyltransferase, two different pathways for the synthesis of cyclohexane containing 5′-O-glycine derivatives of uridine were developed, one starting with the cyclohexyl moiety, and a second o
- Alargov, Dimitar K.,Gugova, Roumyana G.,Denkova, Pavleta S.,Mueller, Gunther,Golovinsky, Evgeny V.
-
p. 937 - 943
(2007/10/03)
-
- The Alkylation of Menthyl Hippurate and Some Related Materials: A Reinvestigation.
-
Benzylation of chiral esters of N-acyglycines using various bases and additives was examined.No C-alkylation was observed with one equivalent of base.Diastereoselectivities were dependent on the amount of additive, the nature of the N-acyl group, and the chiral ester.A model to account for the degree and sense of the stereoselectivity is proposed.
- McIntosh, John M.,Thangarasa, Rasiah,Foley, Nancy K.,Ager, David J.,Froen, Diane E.,Klix, Russell C.
-
p. 1967 - 1974
(2007/10/02)
-