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Items: 1 to 20 of 38

1.

Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro-benzoic acid.

Bairagi KM, Pal P, Bhandary S, Venugopala KN, Chopra D, Nayak SK.

Acta Crystallogr E Crystallogr Commun. 2019 Oct 22;75(Pt 11):1712-1718. doi: 10.1107/S2056989019013859. eCollection 2019 Nov 1.

2.

Novel Series of Methyl 3-(Substituted Benzoyl)-7-Substituted-2-Phenylindolizine-1-Carboxylates as Promising Anti-Inflammatory Agents: Molecular Modeling Studies.

Venugopala KN, Al-Attraqchi OHA, Tratrat C, Nayak SK, Morsy MA, Aldhubiab BE, Attimarad M, Nair AB, Sreeharsha N, Venugopala R, Haroun M, Girish MB, Chandrashekharappa S, Alwassil OI, Odhav B.

Biomolecules. 2019 Oct 28;9(11). pii: E661. doi: 10.3390/biom9110661.

3.

Design, synthesis, and structural elucidation of novel NmeNANAS inhibitors for the treatment of meningococcal infection.

Alwassil OI, Chandrashekharappa S, Nayak SK, Venugopala KN.

PLoS One. 2019 Oct 16;14(10):e0223413. doi: 10.1371/journal.pone.0223413. eCollection 2019.

4.

Molecular Bases for Anesthetic Agents: Halothane as a Halogen- and Hydrogen-Bond Donor.

Nayak SK, Terraneo G, Piacevoli Q, Bertolotti F, Scilabra P, Brown JT, Rosokha SV, Resnati G.

Angew Chem Int Ed Engl. 2019 Sep 2;58(36):12456-12459. doi: 10.1002/anie.201907829. Epub 2019 Jul 30.

PMID:
31313458
5.

Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro-phen-yl)-2-methyl-4-oxobutan-2-yl]malonate.

Chandrashekharappa S, Bairagi KM, Mohan MK, Venugopala KN, Nayak SK.

Acta Crystallogr E Crystallogr Commun. 2018 Sep 7;74(Pt 10):1388-1391. doi: 10.1107/S2056989018012094. eCollection 2018 Oct 1.

6.

Structural analysis of 2-iodo-benzamide and 2-iodo-N-phenyl-benzamide.

Bairagi KM, Kumar VBS, Bhandary S, Venugopala KN, Nayak SK.

Acta Crystallogr E Crystallogr Commun. 2018 Jul 20;74(Pt 8):1130-1133. doi: 10.1107/S2056989018010162. eCollection 2018 Aug 1.

7.

Crystal structure of 1-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]-2-bromo-ethan-1-one.

Chandrashekharappa S, Bairagi KM, Mohan MK, Mohanlall V, Kasumbwe K, Venugopala KN, Nayak SK.

Acta Crystallogr E Crystallogr Commun. 2018 May 31;74(Pt 6):868-870. doi: 10.1107/S2056989018007478. eCollection 2018 Jun 1.

8.

Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X-ray studies.

Bairagi KM, Venugopala KN, Mondal PK, Gleiser RM, Chopra D, GarcĂ­a D, Odhav B, Nayak SK.

Chem Biol Drug Des. 2018 Dec;92(6):1924-1932. doi: 10.1111/cbdd.13351. Epub 2018 Oct 8.

PMID:
29923688
9.

Benzothiazole analogs as potential anti-TB agents: computational input and molecular dynamics.

Venugopala KN, Khedr MA, Pillay M, Nayak SK, Chandrashekharappa S, Aldhubiab BE, Harsha S, Attimard M, Odhav B.

J Biomol Struct Dyn. 2019 Apr;37(7):1830-1842. doi: 10.1080/07391102.2018.1470035. Epub 2018 May 16. Erratum in: J Biomol Struct Dyn. 2019 Apr;37(7):i.

PMID:
29697293
10.

Crystal structure of methyl 4-(4-hy-droxy-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate monohydrate.

Bairagi KM, Venugopala KN, Mondal PK, Odhav B, Nayak SK.

Acta Crystallogr E Crystallogr Commun. 2016 Aug 26;72(Pt 9):1335-1338. eCollection 2016 Sep 1.

11.

Synthesis, Polymorphism, and Insecticidal Activity of Methyl 4-(4-chlorophenyl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4H-pyrimido[2,1-b]quinazoline-3-Carboxylate Against Anopheles arabiensis Mosquito.

Venugopala KN, Nayak SK, Gleiser RM, Sanchez-Borzone ME, Garcia DA, Odhav B.

Chem Biol Drug Des. 2016 Jul;88(1):88-96. doi: 10.1111/cbdd.12736. Epub 2016 Mar 2.

PMID:
26841246
13.

From metallic cluster-based ceramics to nematic hybrid liquid crystals: a double supramolecular approach.

Nayak SK, Amela-Cortes M, Roiland C, Cordier S, Molard Y.

Chem Commun (Camb). 2015 Mar 4;51(18):3774-7. doi: 10.1039/c4cc10085a.

14.

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-chloro-phen-yl}(4-chloro-phen-yl)methan-one.

Venugopala KN, Nayak SK, Odhav B.

Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 19;69(Pt 7):o1124. doi: 10.1107/S1600536813016243. eCollection 2013.

15.

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-fluoro-phen-yl}(4-chloro-phen-yl)methanone.

Venugopala KN, Nayak SK, Govender T, Kruger HG, Maguire GE.

Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):o1007-8. doi: 10.1107/S1600536813014621. eCollection 2013.

16.

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-bromo-phen-yl}(phen-yl)methanone.

Venugopala KN, Nayak SK, Odhav B.

Acta Crystallogr Sect E Struct Rep Online. 2013 May 31;69(Pt 6):o984. doi: 10.1107/S1600536813014086. Print 2013 Jun 1.

17.

Synthesis and antimosquito properties of 2,6-substituted benzo[d]thiazole and 2,4-substituted benzo[d]thiazole analogues against Anopheles arabiensis.

Venugopala KN, Krishnappa M, Nayak SK, Subrahmanya BK, Vaderapura JP, Chalannavar RK, Gleiser RM, Odhav B.

Eur J Med Chem. 2013 Jul;65:295-303. doi: 10.1016/j.ejmech.2013.04.061. Epub 2013 May 8.

PMID:
23727539
18.

2-(4-Bromo-anilino)-6-(4-chloro-phen-yl)-5-meth-oxy-carbonyl-4-methyl-3,6-dihydro-pyrimidin-1-ium chloride.

Venugopala KN, Nayak SK, Odhav B.

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o518-9. doi: 10.1107/S1600536813006296. Print 2013 Apr 1.

19.

[2-(1,3-Benzothia-zol-2-ylmeth-oxy)-5-bromo-phen-yl](4-chloro-phen-yl)methanone.

Nayak SK, Venugopala KN, Govender T, Kruger HG, Maguire GE.

Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o70. doi: 10.1107/S1600536812049756. Epub 2012 Dec 12.

20.

Methyl 4-(4-chloro-phen-yl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4H-pyrimido[2,1-b]quinazoline-3-carboxyl-ate.

Nayak SK, Venugopala KN, Odhav B.

Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o123-4. doi: 10.1107/S1600536812050787. Epub 2012 Dec 22.

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