2-Methyl-1-phenyl­sulfonyl-1H-indole-3-carbaldehyde

In the title compound, C16H13NO3S, the sulfonyl-bound phenyl ring forms a dihedral angle of 84.17 (6)° with the indole ring system. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure exhibits weak inter­molecular C—H⋯O hydrogen bonds and π–π inter­actions between the five- and six-membered rings of the indole group [centroid–centroid distance = 3.6871 (9) Å]

Ethyl 1-benzene­sulfonyl-2-[(E)-2-(2-methyl­phen­yl)ethen­yl]indole-3-carboxyl­ate

In the title compound, C26H23NO4S, the phenyl, tolyl and ester groups make dihedral angles of 82.28 (5), 77.67 (6) and 8.52 (6)°, respectively, with the indole ring system. The S atom of the sulfonyl group is displaced by 0.1968 (4) Å from the indole mean plane. The mol­ecular structure is stabilized by weak intra­molecular C—H⋯O inter­actions. The crystal structure structure features short intramolecular C—H⋯O contacts and π–π stacking inter­actions between the phenyl and tolyl groups [centroid–centroid distance = 3.9448 (11) Å]

3-Iodo-2-methyl-1-phenyl­sulfonyl-1H-indole

In the title compound, C15H12INO2S, the sulfonyl-bound phenyl ring forms a dihedral angle 82.84 (9)° with the indole ring system. The mol­ecular structure is stabilized by a weak intra­molecular C—H⋯O hydrogen bond. The crystal structure exhibits weak inter­molecular C—H⋯π inter­actions and π–π inter­actions between the indole groups [centroid–centroid distance between the five-membered and six-membered rings of the indole group = 3.7617 (18) Å]

SYNTHESIS AND MOLECULAR DOCKING STUDIES OF ETHYL 1-BENZENESULFONYL -2-[(E)-2-(2 METHYLPHENYL) ETHENYL] INDOLE -3-CARBOXYLATE WITH HUMAN RENIN COMPLEXED WITH INHIBITOR

Various proteins play important roles in hypertension and a number of drugs have been tested for their efficacy in modulating hypertension. Renin is an aspartyl protease involved in the production of angiotensin II, a potent vasoconstrictor. Renin inhibitors can prevent blood vessel constriction and therefore could be useful for the treatment of hypertension. With this rationale, some new indole compound are synthesized and evaluated for their antihypertensive activity. Docking studies using Molegro Virtual Docker (MVD) on the human Renin complexed with inhibitor (PDB ID : 2IKO) show their role in the antihypertensive  activity of the molecule  and explain the higher potency of compound based on ReRanking score and binding poses of the molecule.Keywords: Indole, Human Renin complexed with inhibitor, Molegro Virtual Docker,    Antihypertensive, Single XRD

9-p-Tolyl-9H-carbazole-3-carbonitrile

In the title compound, C20H14N2, the carbazole ring system is essentially planar (r.m.s. deviation = 0.187 Å) and is inclined at an angle of 54.33 (4) ° with respect to the benzene ring. The crystal packing is stabilized by weak C—H...N and C—H...π interactions

Ethyl 1-phenylsulfonyl-1H-indole-2-carboxylate

In the title compound, C17H15NO4S, the six-membered ring of the indole unit makes a dihedral angle of 72.40 (5)° with the phenyl ring. The molecular structure features a short C—H...O contact

1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde

In the title compound, C22H15N3O, the dihedral angle between the two indole units is 33.72 (3)°. The molecular structure features a weak intramolecular C—H...N interaction. In the crystal, weak C—H...O and C—H...π interactions, forming a two-dimensional network parallel to the bc plane