List of works - Ravindranath Rathore

(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one.

scientific article

(3E,5E)-1-Benzyl-3,5-bis-(2-fluoro-benzyl-idene)piperidin-4-one

scientific article

(3E,5E)-1-Benzyl-3,5-dibenzyl-idenepiperidin-4-one

scientific article

(3E,5E)-3,5-Bis(4-allyl-oxybenzyl-idene)-1-benzyl-piperidin-4-one.

scientific article

(7E)-5-Benzyl-7-(2-chloro-benzyl-idene)-3-(2-chloro-phen-yl)-2-phenyl-3,3a,4,5,6,7-hexa-hydro-2H-pyrazolo-[4,3-c]pyridine.

scientific article published on 23 June 2010

1,1'-[(2-Bromo-phen-yl)-methyl-ene]-dipyrrolidin-2-one

scientific article published on 17 February 2012

1-Meth-oxy-4-({[(4-meth-oxy-phen-yl)-sulfan-yl](phen-yl)meth-yl}sulfan-yl)benzene

scientific article published on 17 February 2012

2,3-Bis[(2-methyl-phen-oxy)meth-yl]buta-1,3-diene.

scientific article published on 6 December 2007

Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine

scientific article published on 16 February 2008

Advances in binding free energies calculations: QM/MM-based free energy perturbation method for drug design.

scientific article published on January 2013

Amitriptylinium picrate: conformational disorder

scientific article published on 17 August 2007

An in silico approach to identify potential medicinal plants for treating Alzheimer disease: a case study with acetylcholinesterase

scientific article published on 06 October 2020

C-halogen...pi dimer and C-H...pi interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole-5-carbaldehyde

scientific article

Co-crystallization of 3,5-di-nitro-benzoic acid with two anti-psychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O-H⋯O hydrogen bond with chlorprothixene

scientific article published on 31 January 2019

Conformational investigations on analogs of inflammation response inducing chemotactic tripeptide fMLP.

scientific article published in January 2005

Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly via co-operative intermolecular C-H...O hydrogen bonds

scientific article published on 13 April 2006

Conversion of di-aryl-chalcones into 4,5-di-hydro-pyrazole-1-carbo-thio-amides: mol-ecular and supra-molecular structures of two precursors and three products

scientific article published on 14 February 2020

Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions

scientific article published on 23 May 2019

Crystal structure of (RS)-(4-chloro-phen-yl)(pyridin-2-yl)methanol

scientific article published on January 2016

Crystal structure of ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-tri-chloro-phen-yl)cyclo-hex-3-ene-1-carboxyl-ate

scientific article published on January 2016

Crystal structures of (E)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (E)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone

scientific article published on 7 November 2017

Crystal structures of 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium benzoate and 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium picrate.

scientific article published on 8 August 2017

Different molecular conformations co-exist in each of three 2-aryl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions.

scientific article

Eight Schiff bases derived from various salicylaldehydes: phenol-imine and keto-amine forms, conformational disorder, and supramolecular assembly in one and two dimensions

scientific article published on 07 September 2018

Fifteen 4-(2-meth-oxy-phen-yl)piperazin-1-ium salts containing organic anions: supra-molecular assembly in zero, one, two and three dimensions

scientific article published on 30 October 2020

Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding

scientific article published on 13 November 2018

Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl

scientific article published in January 2018

Free energy calculations to estimate ligand-binding affinities in structure-based drug design.

scientific article published on January 2014

Functionalized 3-(5-ar-yloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-substituted-phen-yl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples

scientific article published on 21 April 2020

HIV-1 associated Topoisomerase IIβ kinase: a potential pharmacological target for viral replication

scientific article published on January 2013

Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs.

scientific article

Herring-bone pi-pi interactions in trans-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one

scientific article published on 11 October 2003

Hydrogen-bonded sheets in 2-(2-aminophenyl)-1H-benzimidazol-3-ium dihydrogen phosphate

scientific article published on 7 June 2008

In silico screening for identification of novel β-1,3-glucan synthase inhibitors using pharmacophore and 3D-QSAR methodologies.

scientific article published on 04 July 2016

MedPServer: a database for identification of therapeutic targets & novel leads pertaining to natural products

scientific article published on 28 November 2018

Modeling of babesipain-1 and identification of natural and synthetic leads for bovine babesiosis drug development

scientific article

Molecular dynamics insights on the role β-augmentation of the peptide N-terminus with binding site β-hairpin of proprotein convertase subtilisin/kexin 9

scientific article published on 06 September 2019

NeMedPlant: a database of therapeutic applications and chemical constituents of medicinal plants from north-east region of India.

scientific article published on 28 February 2012

Proton-bifurcated C-H...(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride

scientific article published on 16 December 2005

Reinvestigation of the crystal structure of N-(4-chloro-benzyl-idene)-2-hy-droxy-aniline: a three-dimensional structure containing O-H⋯N, O-H⋯O and C-H⋯π(arene) hydrogen bonds.

scientific article

Structural features in the model of a thermostable and stress-resistant protein, SP1 from aspen.

scientific article published in April 2004

Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensi

scientific article

The crystal structure of (E)-2-ethyl-N-(4-nitro-benzyl-idene)aniline: three-dimensional supra-molecular assembly mediated by C-H⋯O hydrogen bonds and nitro⋯π(arene) inter-actions

scientific article published on 10 July 2018

Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C-H...π and C-Br...π interactions.

scientific article

Three closely related 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions

scientific article published on 23 February 2017

Tris(acetylacetonato-kappa(2)O,O')(1,10-phenanthroline-kappa2N,N')erbium(III)

scientific article published on 23 January 2007

Tuning the Electronic Properties of 2-Cyano-3-phenylacrylamide Derivatives

scientific article published on 12 November 2015

Two isostructural 3-(5-ar-yloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(thio-phen-2-yl)prop-2-en-1-ones: disorder and supra-molecular assembly

scientific article published on 01 January 2020

List of works by Ravindranath Rathore

(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one.

(3E,5E)-1-Benzyl-3,5-bis-(2-fluoro-benzyl-idene)piperidin-4-one

(3E,5E)-1-Benzyl-3,5-dibenzyl-idenepiperidin-4-one

(3E,5E)-3,5-Bis(4-allyl-oxybenzyl-idene)-1-benzyl-piperidin-4-one.

(7E)-5-Benzyl-7-(2-chloro-benzyl-idene)-3-(2-chloro-phen-yl)-2-phenyl-3,3a,4,5,6,7-hexa-hydro-2H-pyrazolo-[4,3-c]pyridine.

1,1'-[(2-Bromo-phen-yl)-methyl-ene]-dipyrrolidin-2-one

1-Meth-oxy-4-({[(4-meth-oxy-phen-yl)-sulfan-yl](phen-yl)meth-yl}sulfan-yl)benzene

2,3-Bis[(2-methyl-phen-oxy)meth-yl]buta-1,3-diene.

Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine

Advances in binding free energies calculations: QM/MM-based free energy perturbation method for drug design.

Amitriptylinium picrate: conformational disorder

An in silico approach to identify potential medicinal plants for treating Alzheimer disease: a case study with acetylcholinesterase

C-halogen...pi dimer and C-H...pi interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole-5-carbaldehyde

Co-crystallization of 3,5-di-nitro-benzoic acid with two anti-psychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O-H⋯O hydrogen bond with chlorprothixene

Conformational investigations on analogs of inflammation response inducing chemotactic tripeptide fMLP.

Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly via co-operative intermolecular C-H...O hydrogen bonds

Conversion of di-aryl-chalcones into 4,5-di-hydro-pyrazole-1-carbo-thio-amides: mol-ecular and supra-molecular structures of two precursors and three products

Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions

Crystal structure of (RS)-(4-chloro-phen-yl)(pyridin-2-yl)methanol

Crystal structure of ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-tri-chloro-phen-yl)cyclo-hex-3-ene-1-carboxyl-ate

Crystal structures of (E)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (E)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone

Crystal structures of 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium benzoate and 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium picrate.

Different molecular conformations co-exist in each of three 2-aryl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions.

Eight Schiff bases derived from various salicylaldehydes: phenol-imine and keto-amine forms, conformational disorder, and supramolecular assembly in one and two dimensions

Fifteen 4-(2-meth-oxy-phen-yl)piperazin-1-ium salts containing organic anions: supra-molecular assembly in zero, one, two and three dimensions

Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding

Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl

Free energy calculations to estimate ligand-binding affinities in structure-based drug design.

Functionalized 3-(5-ar-yloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-substituted-phen-yl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples

HIV-1 associated Topoisomerase IIβ kinase: a potential pharmacological target for viral replication

Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs.

Herring-bone pi-pi interactions in trans-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one

Hydrogen-bonded sheets in 2-(2-aminophenyl)-1H-benzimidazol-3-ium dihydrogen phosphate

In silico screening for identification of novel β-1,3-glucan synthase inhibitors using pharmacophore and 3D-QSAR methodologies.

MedPServer: a database for identification of therapeutic targets & novel leads pertaining to natural products

Modeling of babesipain-1 and identification of natural and synthetic leads for bovine babesiosis drug development

Molecular dynamics insights on the role β-augmentation of the peptide N-terminus with binding site β-hairpin of proprotein convertase subtilisin/kexin 9

NeMedPlant: a database of therapeutic applications and chemical constituents of medicinal plants from north-east region of India.

Proton-bifurcated C-H...(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride

Reinvestigation of the crystal structure of N-(4-chloro-benzyl-idene)-2-hy-droxy-aniline: a three-dimensional structure containing O-H⋯N, O-H⋯O and C-H⋯π(arene) hydrogen bonds.

Structural features in the model of a thermostable and stress-resistant protein, SP1 from aspen.

Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensi

The crystal structure of (E)-2-ethyl-N-(4-nitro-benzyl-idene)aniline: three-dimensional supra-molecular assembly mediated by C-H⋯O hydrogen bonds and nitro⋯π(arene) inter-actions

Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C-H...π and C-Br...π interactions.

Three closely related 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions

Tris(acetylacetonato-kappa(2)O,O')(1,10-phenanthroline-kappa2N,N')erbium(III)

Tuning the Electronic Properties of 2-Cyano-3-phenylacrylamide Derivatives

Two isostructural 3-(5-ar-yloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(thio-phen-2-yl)prop-2-en-1-ones: disorder and supra-molecular assembly