Structure-function relationship of Chikungunya nsP2 protease: A comparative study with papain.

Chikungunya virus is a growing human pathogen transmitted by mosquito bite. It causes fever, chills, nausea, vomiting, joint pain, headache, and swelling in the joints. Its replication and propagation depend on the protease activity of the Chikungunya virus-nsP2 protein, which cleaves the nsP1234 polyprotein replication complex into individual functional units.

Phytochemical analyses and activity of herbal medicinal plants of North- East India for anti-diabetic, anti-cancer and anti-tuberculosis and their docking studies.

The traditional knowledge of medicinal plants that are in use by the indigenous Jaintia tribes residing in few isolated pockets of North-East India is documented here. The present study was carried out through the personal discussion with the president of the Jaintia Indigenous Herbal Medicine Association, Dr.H.

2-(4-Bromo-benzo-yl)-1-ferrocenyl-spiro-[11H-pyrrolidizine-3,11'-indeno-[1,2-b]quinoxaline].

In the title compound, [Fe(C5H5)(C33H25BrN3O)], the fused four-ring system, 11H-indeno-[1,2-b]quinoxaline is essentially planar, with a maximum deviation of 0.087 (3) Å from the least-squares plane of the attached benzene ring. The pyrrolidine rings adopt envelope conformation and make a dihedral angle of 51.

6-Ferrocenoyl-7-(4-fluoro-phen-yl)spiro-[hexa-hydro-pyrrolo-[1,2-c][1,3]thia-zole-5,11'-indeno-[1,2-b]quinoxaline].

In the title compound, [Fe(C5H5)(C32H23FN3OS)], both the thia-zolidine ring and the pyrrolidine ring adopt a twist conformation on the N-C(H) bridging bond. Their mean planes are inclined to one another by 10.05 (10)°, and they make dihedral angles of 82.

6-Ferrocenoyl-7-phenyl-spiro-[hexa-hydro-pyrrolo-[1,2-c][1,3]thia-zole-5,11'-indeno-[1,2-b]quinoxaline].

In the title compound, [Fe(C5H5)(C32H24N3OS)], both the thia-zolidine ring and the pyrrolidine ring adopt an envelope conformation, with the S atom and the phenyl-bearing C atom, respectively, as the flaps. The thia-zolidine ring mean plane makes a dihedral angle of 59.08 (11)° with the pyrrolidine ring mean plane, which in turn makes a dihedral angle of 83.

Methyl 11-hy-droxy-9-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-18-oxo-10-oxa-2-aza-penta-cyclo-[9.7.0.0(1,8).0(2,6).0(12,17)]octa-deca-12(17),13,15-triene-8-carboxyl-ate.

In the title compound, C34H32N2O7, the furan ring adopts a twist conformation and both the pyrrolidine rings adopt envelope conformations with O and C as flap atoms. The β-lactam ring makes a dihedral angles of 80.20 (10)° with the furan ring, of 75.

Methyl 12-hydroxy-10-[1-(4-meth-oxy-phen-yl)-2-oxo-3-phen-oxy-azetidin-4-yl]-11-oxa-3-aza-hexa-cyclo-[11.7.1.0(2,9).0(2,12).0(3,7).0(17,21)]henicosa-1(20),13,15,17(21),18-penta-ene-9-carboxyl-ate.

In the title compound, C37H34N2O7, both pyrrolidine rings adopt envelope conformations. The β-lactam ring is close to planar (r.m.

11-Hy-droxy-9-[1-(4-methyl-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-18-oxo-10-oxa-2-aza-penta-cyclo-[9.7.0.0(1,8).0(2,6).0(12,17)]octa-deca-12,14,16-triene-8-carbonitrile.

In the title compound, C33H29N3O5, the four-membered ring of the β-lactam fragment is essentially planar (r.m.s.

Structure based design of compounds from natural sources for diabetes and inflammation.

Medicinal plants and marine sources are important elements of indigenous medical systems worldwide. The natural drugs from medicinal plants and marine sources have received considerable interest in treatment of diabetes and inflammation. Based on literature, alpha glucosidase, aldose reductase and PTP1B enzymes were chosen as anti-diabetes targets and PLA(2) was chosen for the anti-inflammatory target.

4-[4-(4-Chloro-benzo-yl)-2,3-diphenyl-isoxazolidin-5-yl]-1-(4-meth-oxy-phen-yl)-3-phenyl-azetidin-2-one.

In the title compound, C(38)H(31)ClN(2)O(4), the isoxazole ring adopts an envelope conformation with the N atom as the flap. The crystal packing is stabilized by C-H⋯O hydrogen bonds, forming chains running along the c-axis direction.