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Файл:Ординатура / Хирургия / Библиотека им академика М.И. Перельмана / Книга_5691_Библиотеки_им_академика_М_И_Перельмана
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(continued)
. . Omptin inhibitor
. . -Phytase inhibitor
. . Linoleate diol synthase inhibitor
. . CYPJ substrate
. . Cyclooxygenase inhibitor
. . CYPJ substrate
. . Hydroxylamine oxidase inhibitor
. . CYPD substrate
. . Arylesterase inhibitor
. . Venombin AB inhibitor
. . CYPA substrate
. . Endopeptidase So inhibitor
. . Cyclooxygenase inhibitor
. . CYP
C substrate
. . Chloride peroxidase inhibitor
. . CYPA expression inhibitor
. . Oxidoreductase inhibitor
. . Tpr proteinase (Porphyromonas gingivalis) inhibitor
. . Cyclooxygenase inhibitor
. . Glycerol--phosphate oxidase inhibitor
. . Nonsteroidal anti-inflammatory agent
. . Nitrate reductase (cytochrome) inhibitor
. . Thiol oxidase inhibitor
. . Platelet aggregation stimulant
. . Thiopurine S-methyltransferase inhibitor
. . Pseudolysin inhibitor
. . APOA expression enhancer
. .
Aminobutyraldehyde dehydrogenase inhibitor
. . Glycosylphosphatidylinositol phospholipase D inhibitor
. . Antiarthritic
. . Chitosanase inhibitor
. . NADPH-cytochrome-c reductase inhibitor
. . Histidine kinase inhibitor
. . Saluretic
. . CYP inhibitor
. . Diuretic inhibitor
. . Aspergillopepsin I inhibitor
. . Myosin ATPase inhibitor
. . Arylsulfate sulfotransferase inhibitor
. . Caspase stimulant
. . Thromboxane B antagonist
. . Loop diuretic
. . N-Benzyloxycarbonylglycine hydrolase inhibitor
. . Pancreatic elastase inhibitor
. . CYPA substrate
. . -O-(-Coumaroyl)-
D-quinate ʹ-monooxygenase
inhibitor
5.3 Results of PASS prediction studies of hydroxytriazenes 91
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Compound 8
(continued)
. . Antihyperammonemic
. . Fusarinine-C ornithinesterase inhibitor
. . CYPA substrate
. . Glyoxylate reductase inhibitor
. . Gingipain K inhibitor
. . Interleukin agonist
. . Anaphylatoxin receptor antagonist
. . Anthrax lethal factor inhibitor
. . Laccase inhibitor
. . Homogentisate ,-dioxygenase inhibitor
. . Fragilysin inhibitor
. . Na
+
-transporting two-sector ATPase inhibitor
. . Aspartyltransferase inhibitor
. . Chlordecone reductase inhibitor
. . Chymosin inhibitor
. . Saccharopepsin inhibitor
. . Acrocylindropepsin inhibitor
. . Proteasome ATPase inhibitor
. . Thymidylate ʹ-phosphatase inhibitor
. . Anti-inflammatory
. . Diabetic neuropathy treatment
. . Muramoyltetrapeptide carboxypeptidase inhibitor
. . Benzoate-CoA ligase inhibitor
. . Prostaglandin-A DELTA-isomerase inhibitor
. . AICAR transformylase inhibitor
. . Macrophage colony-stimulating factor agonist
. . Thyroxine -deiodinase inhibitor
.
. CDK/cyclin T inhibitor
. . Aspartate-phenylpyruvate transaminase inhibitor
. . Opine dehydrogenase inhibitor
. . Fibrolase inhibitor
. . S-Formylglutathione hydrolase inhibitor
. . HIFA expression inhibitor
. . Carboxypeptidase Taq inhibitor
. . Hydrogen dehydrogenase inhibitor
. . Testosterone beta-dehydrogenase (NADP
+
) inhibitor
. . N-Formylmethionyl-peptidase inhibitor
. . Sugar phosphatase inhibitor
. . Polyporopepsin inhibitor
. . Glutamyl endopeptidase II inhibitor
. . Linoleate diol synthase inhibitor
. . Omptin inhibitor
92 Chapter 5 Hydroxytriazenes and their cobalt complexes as candidates
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(continued)
. . Endopeptidase So inhibitor
. . Tpr proteinase (Porphyromonas gingivalis) inhibitor
. . Cl-transporting ATPase inhibitor
. . Venombin AB inhibitor
. . Aspergillopepsin I inhibitor
. . Arylesterase inhibitor
. . Gingipain K inhibitor
. . Proteasome ATPase inhibitor
. . Phospholipid-translocating ATPase inhibitor
. . Myosin ATPase inhibitor
. . Pancreatic elastase inhibitor
. . Adenomatous polyposis treatment
. . Cathepsin T inhibitor
. . Thiosulfate dehydrogenase inhibitor
. . Arylsulfate sulfotransferase inhibitor
. . CYPJ
substrate
. . Thromboxane B antagonist
. ., Phthalate ,-dioxygenase inhibitor
. . CYPJ substrate
. . Antiarthritic
. . Cyclooxygenase inhibitor
. . Aspergillopepsin II inhibitor
. . Interleukin agonist
. . Gamma-glutamyltransferase inhibitor
. . Muramoyltetrapeptide carboxypeptidase inhibitor
. . APOA expression enhancer
. . Nardilysin inhibitor
. . -Hydroxymuconate-semialdehyde hydrolase inhibitor
. . CYPC substrate
. .
N-Benzyloxycarbonylglycine hydrolase inhibitor
. . Pseudolysin inhibitor
. . NADPH peroxidase inhibitor
. . Aminobutyraldehyde dehydrogenase inhibitor
. . Prephenate dehydrogenase inhibitor
. . Methylumbelliferyl-acetate deacetylase inhibitor
. . Anti-inflammatory
. . CYP inhibitor
. . Anthrax lethal factor inhibitor
. . Gingipain R inhibitor
. . Channel-conductance-controlling ATPase inhibitor
. . Histidine kinase inhibitor
. . NADPH-cytochrome-c reductase inhibitor
. . Neuropeptide Y antagonist
. . Platelet aggregation stimulant
. . Cyclooxygenase inhibitor
. . Picornain C inhibitor
. . Chymosin inhibitor
5.3 Results of PASS prediction studies of hydroxytriazenes 93
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5.4 ADME studies
ADMET data for ligands, hydroxytriazenes and their cobalt complexes have been an-
nexed in the respective tables. The data have been presented as it is to demonstrate
the application, and the data are self-explanatory.
The three theoretical designing tools, thus, are discussed earlier, and their hands-
on application using hydroxytriazine and their cobalt complexes is presented here.
This is an illustration of the application of these computer-based drug designing tools.
However, before finally concluding, a lot of data has to be validated experimentally
by in vivo studies, etc. It is apparent that the tools predict successfully, in particular,
the anti-inflammatory activities of this series of compounds and their cobalt com-
plexes. There is a need to further investigate the fact that metal complexes can be po-
tential drug candidates for medicinal applications.
References
[1] Ajay, K. Goswami and Purohit, Dau N. Synthesis and antimicrobial activities of some
hydroxytriazenes. A new class of biologically active. Compounds Anal. Sci. 2001, 17, 1789.
[2] Goswami, A.K. Synthesis and insecticidal activity of some hydroxytriazene and their vanadium
complexes, Pest. Res. J. 2002, 14(2), 213.
[3] Hura, I.S., Naulakha, Neelam, Goswami, A.K. and Srivastava, M.K. Biological activity of some
substituted hydroxytriazenes. Indian. J. Microbial. 2003, 43(4), 275.
[4] Chauhan, L.S., Jain, C.P., Chauhan, R.S. and Goswami, A.K. Wound healing activity of some
substituted hydroxytriazenes. Adv. Pharmacol. Toxicol. 2006, 7(3), 73.
[5] Chauhan Lalit Singh, Jain, C.P. Singh, Chetan, Chauhan, R.S. and Goswami, A.K. Anti-inflammatory
activity of some substituted hydroxytriazenes on Wister rat. Bio Sci. Biotechnol. Res. Asian. 2006,
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[6] Chauhan, L.S., Jain, C.P., Chauhan, R.S. and Goswami, A.K. Syhthesis and analgesic activity of
hydroxytriazenes. Asian J. Chem. 2007, 9(6), 4684.
[7] Goswami, A.K. Sharma, P., Agarwal, S. and Khan, I. Hydroxytriazenes: A Promising class of anti-
inflammatory compounds. Moj. Org. Chem. 2017, 1(3), 1.
(continued)
. . Saccharopepsin inhibitor
. . Acrocylindropepsin inhibitor
. . Platelet adhesion inhibitor
. . Antiprotozoal (coccidial)
. . GABA aminotransferase inhibitor
. . Benzoate-CoA ligase inhibitor
. . Anaphylatoxin receptor antagonist
. . Fusarinine-C ornithinesterase inhibitor
. . Chitosanase inhibitor
94 Chapter 5 Hydroxytriazenes and their cobalt complexes as candidates
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[8] Agarwal, S., Baroliya, P.K., Bhargava, A., Tripathi, I.P. and Goswami, A.K. Synthesis characterization,
theoretical prediction of activities and evaluation of biological activities of some sulfacetamide
based hydroxytriazenes. Bioorg. Med. Chem. Lett. 2016, 26, 2870.
[9] Regar, Mangilal, Baroliya, P.K. Patidar, Ashok, Dashora, Rekha Mehta, Anita, Chauhan, R.S. and
Goswami, A.K. Antidyslipedemic and antioxidant effects of novel- hydroxytriazenes. Pharma. Chem.
J. 2016, 50(5), 310.
[10] Baroliya, Prabhat, K., Regar, Mangilal, Chauhan, R.S. and Goswami, A.K. Synthesis and antimicrobial
activities of hydroxytriazenes and their CO(II) Complexes. AFFINIDAD, 2014, LXXXI, 568, 305.
[11] E.H. Rodd. ed., Chemistry of Carbon Compounds, Elsevier, New York, 1951, Vol. I, pp. 532.
[12] Stepanchikova, A.V., Lagunin, A.A., Filmonov, D.A. and Porikov, V.V. Prediction of biological activity
spectra for substances: Evaluation on the diverse sets of drug-like structures. Curr. Med. Chem.
2003, 10, 225.
[13] Anzalil, Barniekel, B. Cezzane, Krug, M., Filmonov, D. and Porikov, V. Discriminating between drugs
and non-drugs by prediction of activity spectra for substances (PASS). J. Med. Chem. 2001, 44, 2432.
[14] Molecular Operating Environment (MOE), 2015.1001; Chemical Computing Group Inc., 1010
Sherbooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7, 2017.
[15] Nahoum V, Roux G, Anton V, Rougé P, Puigserver A, Bischoff H, Henrissat B, Payan F. Crystal
structures of human pancreatic alpha-amylase in complex with carbohydrate and proteinaceous
inhibitors. Biochem J. 2000 Feb 15; 346 Pt 1(Pt 1): 201–8.
[16] Ren L, Qin X, Cao X, Wang L, Bai F, Bai G, Shen Y. Structural insight into substrate specificity of
human intestinal maltase-glucoamylase. Protein Cell. 2011 Oct; 2(10): 827–36.
[17] Wang JL, Limburg D, Graneto MJ, Springer J, Hamper JR, Liao S, Pawlitz JL, Kurumbail RG, Maziasz T,
Talley JJ, Kiefer JR, Carter J. The novel benzopyran class of selective cyclooxygenase-2 inhibitors.
Part 2: the second clinical candidate having a shorter and favorable human half-life. Bioorg Med
Chem Lett. 2010 Dec 1; 20(23): 7159–63.
[18] Lountos GT, Jiang R, Wellborn WB, Thaler TL, Bommarius AS, Orville AM. The crystal structure of
NAD(P)H oxidase from Lactobacillus sanfranciscensis: insights into the conversion of O2 into two
water molecules by the flavoenzyme. Biochemistry. 2006 Aug 15; 45(32): 9648–59.
[19] Naïm M, Bhat S, Rankin KN, Dennis S, Chowdhury SF, Siddiqi I, Drabik P, Sulea T, Bayly CI, Jakalian A,
Purisima EO. Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1.
Exploring the parameter space. J ChemInf Model. 2007 Jan-Feb; 47(1): 122–33.
References 95
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Annexure 1
https://doi.org/10.1515/9783111426136-006
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98 Annexure 1
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Annexure 1 99
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100 Annexure 1
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