Title Prof. First Name Ravindranath Last Name Rathore
Designation Professor
Department Department of Bioinformatics
Email rsrathore@cusb.ac.in
Webpage
Phone.no 7489114839
Employement Info
Employee Type Nature Of Employment
Teaching Permanent
Educational Qualifications
Degree/Certification Name Institution Year of Completion
Ph.D. - Structural Studies of Biologically Active and Conformationally Important Oligopeptides: Implications for De Novo Design Indian Institute of Science, Bangalore 1999
M.Phil. Devi Ahilya University, Indore 1991
PG Vikram University, Ujjain 1990
UG Vikram University, Ujjain 1988
Research Publications
Title of Article Type of Publication Name of Journal ISSN Journal Volume Year Link to Article DOI (Digital Object Identifier)
C - Halogen?? dimer and C-H?? 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-imida-zole-5- carbaldehyde Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 61 2005 10.1107/S0108270105001794

Study on beta-sheet packing, stabilized by aromatic interactions in a tri-peptide crystal Research Papers in Peer Reviewed Journals Zeitschrift fur Kristallographie 219 2004 10.1524/zkri.219.9.567.44043

Water-mediated supramolecular beta-sheet from a short synthetic peptide containing non-coded amino acids Research Papers in Peer Reviewed Journals Current Science 85 2003
Amitriptylinium picrate: Conformational disorder Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 63 2007 10.1107/S0108270107037468

Proton-bifurcated C - H?(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 62 2006
4-Methoxy-3-methylbenzophenone Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 62 2006 https://doi.org/10.1107/S1600536806011986

Conformational investigations on analogs of inflammation response inducing chemotactic tripeptide fMLP Research Papers in Peer Reviewed Journals Biopolymers - Peptide Science Section 80 2005 10.1002/bip.20231

2,2?-Diaminodibenzyl: A rare case of crystallographically non-compliant molecular symmetry Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 61 2005 https://doi.org/10.1107/S1600536805006021

N-H+?Cl-and C-H?O interactions in 6-fluoro-3-(4-piperidinio)benz[d]isoxazole chloride Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 61 2005 10.1107/S1600536805000899

\{2-Methylidene-3-[(phenylsulfanyl)methyl]but-3-en-1-ylsulfanyl}benzene: Flip-flop disorder Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 63 2007 10.1107/S1600536807017680

Molecular dynamics insights on the role β‐augmentation of the peptide N‐terminus with binding site β‐hairpin of proprotein convertase subtilisin/kexin 9 Research Papers in Peer Reviewed Journals Chemical Biology & Drug Design 1747-0285 94 2019 http://dx.doi.org/10.1111/cbdd.13612 10.1111/cbdd.13612

Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: Implications for supramolecular helical design Research Papers in Peer Reviewed Journals New Journal of Chemistry 36 2012 10.1039/c2nj40499k

Tris(acetyl-acetonato-k2 O,O?)(1,10-phenanthroline-k 2 N,N?)erbium(III) Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 63 2007 10.1107/S0108270107000248

Molecular dynamics study of a tripeptide Z-Ala-Ala-Leu-pNA Research Papers in Peer Reviewed Journals Journal of the Indian Institute of Science 82 2002
1-(3-Methoxy-phen-yl)-2-phenyl-ethanone oxime Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 63 2007 10.1107/S1600536807037361

Crystal structure and conformational analyses of a synthetic tetrapeptide t-Boc-L-Val-Aib-Gly-L-Leu-OMe Research Papers in Peer Reviewed Journals Crystal Research and Technology 40 2005 10.1002/crat.200410394

2,2?-Dipropylmalonic acid: Intermolecular association via strong O-H?O hydrogen bonds Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 61 2005 10.1107/S1600536804033045

Herring-bone pi-pi interactions in trans-2,6-diphenyl-2,3,5,6-tetra-hydrothiapyran-4-one Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 59 2003 10.1107/S0108270103019577

Ethyl 2-acetyl-3-anilinobutanoate Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 62 2006 10.1107/S1600536806044588

Hydrogen-bonded sheets in 2-(2-aminophenyl)-1H-benzimidazol-3-ium dihydrogen phosphate Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 64 2008 10.1107/S010827010801456X

Intermolecularly associated carboxylic acid dimers in the supramolecular assembly of 2-(2-phenyl-ethyl)benzoic acid Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 61 2005 10.1107/S1600536805023329

2,3-Bis[(2-methylphenoxy)methyl]buta-1,3-diene Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 64 2008 10.1107/S1600536807063398

Peptide helices with pendant cycloalkane rings. Characterization of conformations of 1‐aminocyclooctane‐1‐carboxylic acid (Ac8c) residues in peptides Research Papers in Peer Reviewed Journals Journal of Peptide Science 1099-1387 10 2003 http://dx.doi.org/10.1002/psc.507 10.1002/psc.507

1-Isopropyl-6,6,8a-trimethyl-1,3a,5,6,7,8a-hexahydro-3H-1-benzofuro[2,3- b] pyrrole-2,4-dione Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 62 2006 10.1107/S1600536806006180

Structural features in the model of a thermostable and stress-resistant protein, sp1 from aspen Research Papers in Peer Reviewed Journals Journal of Biomolecular Structure and Dynamics 21 2004 10.1080/07391102.2004.10506955.

3-Acetyl-4-hydroxy-quinolin-2(1H)-one: Resonance-assisted O - H?O hydrogen bonding Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 63 2007 10.1107/S1600536807054153

Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly via co-operative intermolecular C - H?O hydrogen bonds Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 62 2006 10.1107/S010827010601119X

Thionordazepam: Strong intermolecular N-H?N hydrogen-bonded chains Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 61 2005 10.1107/S1600536805025286

Cooperative C-H...N and C-H...pi bonded molecular dimers of 5-aryl-7,8,13,14-tetrahydro-dibenzo[a,i]phenanthridine Research Papers in Peer Reviewed Journals Journal of Molecular Structure 963 2010 10.1016/j.molstruc.2009.10.007

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-4,5,6,7-tetrahydrobenzo[b]thiophene Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Structural Chemistry 74 2018 10.1107/S2053229617017326

MedPServer: A database for identification of therapeutic targets and novel leads pertaining to natural products Research Papers in Peer Reviewed Journals Chemical Biology & Drug Design 1747-0285 93 2018 http://dx.doi.org/10.1111/cbdd.13430 10.1111/cbdd.13430

Addressing Two Issues on Conformational Differences and Utility of Random Number Generators in Conformational Sampling~!2009-06-01~!2009-09-14~!2010-04-01~! Research Papers in Peer Reviewed Journals The Open Structural Biology Journal 1874-1991 4 2010 http://dx.doi.org/10.2174/1874199101004010001 10.2174/1874199101004010001

Bis(acetyl-acetonato-?2 O,O?)(pyridine-N)zinc(II) Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 67 2011 10.1107/S1600536811019854

Discovery of sulfone-resistant dihydropteroate synthase (DHPS) as a target enzyme for kaempferol, a natural flavanoid Research Papers in Peer Reviewed Journals Heliyon 2405-8440 6 2020 http://dx.doi.org/10.1016/j.heliyon.2020.e03378 10.1016/j.heliyon.2020.e03378

Azabicyclo[3.3.1]nonanone: A case when weak interactions are preferred over strong hydrogen bonds Research Papers in Peer Reviewed Journals Structural Chemistry 21 2010 10.1007/s11224-010-9624-8

4-(4-Chloro-phenyl)-N-[(E)-4-(Dimethylamino)-benzylidene]-1, 3-thia-zol-2-amine Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 67 2011 10.1107/S1600536811028078

Modeling of babesipain-1 and identification of natural and synthetic leads for bovine babesiosis drug development Research Papers in Peer Reviewed Journals Journal of Molecular Modeling 22 2016 10.1007/s00894-016-2945-9

Performance Evaluation of Docking Programs- Glide, GOLD, AutoDock & SurflexDock, Using Free Energy Perturbation Reference Data: A Case Study of Fructose-1, 6-bisphosphatase-AMP Analogs Research Papers in Peer Reviewed Journals Mini-Reviews in Medicinal Chemistry 1389-5575 20 2020 http://dx.doi.org/10.2174/1389557520666200526183353 10.2174/1389557520666200526183353

Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products Research Papers in Peer Reviewed Journals Acta Crystallographica Section E Crystallographic Communications 77 2021 https://doi.org/10.1107%2Fs2056989021009312 10.1107/s2056989021009312

Free energy calculations to estimate ligand-binding affinities in structure-based drug design Research Papers in Peer Reviewed Journals Current Pharmaceutical Design 20 2014 10.2174/13816128113199990604

(3E,5E)-1-Benzyl-3,5-bis-(2-fluoro-benzyl-idene)piperidin-4-one Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 65 2009 10.1107/S1600536809039609

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 Research Papers in Peer Reviewed Journals Acta Crystallographica Section C Structural Chemistry 2053-2296 75 2019 http://dx.doi.org/10.1107/s2053229619006752 10.1107/s2053229619006752

Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: Pseudosymmetry, disorder and supramoleular assembly mediated by C-H..? and C-Br..? interactions Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Structural Chemistry 73 2017 10.1107/S205322961700105X

A mild and efficient one-pot three-component synthesis of anti-?-amino-carbonyl compounds catalyzed by NH\<inf\>4\</inf\>OAc and their anticancer activities Research Papers in Peer Reviewed Journals Medicinal Chemistry Research 23 2014 10.1007/s00044-014-1065-2

Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives: Synthesis, molecular conformation and hydrogen bonding Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 74 2018 Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives: Synthesis, molecular conformation and hydrogen bonding

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 dimensions. Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Structural Chemistry 74 2018 10.1107/S2053229618000657

Minimum MD simulation length required to achieve reliable results in free energy perturbation calculations: Case study of relative binding free energies of fructose-1,6-bisphosphatase inhibitors Research Papers in Peer Reviewed Journals Journal of Computational Chemistry 32 2011 10.1002/jcc.21791

1,1?-[(2-Bromophenyl)-methylene]-dipyrrolidin-2-one Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 68 2012 10.1107/S1600536812006277

Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions Research Papers in Peer Reviewed Journals Acta Crystallographica Section E Crystallographic Communications 2056-9890 76 2020 http://dx.doi.org/10.1107/S2056989020014097 10.1107/s2056989020014097

(7E)-5-Benzyl-7-(2-chlorobenzylidene)-3-(2-chlorophenyl)-2-phenyl-3,3a,4,5, 6,7-hexahydro-2H-pyrazolo-[4,3-c]pyridine Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 66 2010 10.1107/S1600536810023317

Crystal structure of ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-trichlorophenyl)cyclohex-3-ene-1-carboxylate Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 72 2016 10.1107/S2056989015023245

Phenylbenzopyrone of Flavonoids as a Potential Scaffold to Prevent SARSCoV-2 Replication by Inhibiting its M PRO Main Protease Research Papers in Peer Reviewed Journals Current Pharmaceutical Biotechnology 1389-2010 22 2021 http://dx.doi.org/10.2174/1389201022666210127113027 10.2174/1389201022666210127113027

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 Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Structural Chemistry 73 2017 10.1107/S205322961700273X

3-Ethyl-4-methyl-1H-pyrazol-2-ium-5-olate Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 67 2011 0.1107/S160053681102808X

Prediction of transient and permanent protein interactions using AI methods Research Papers in Peer Reviewed Journals Bioinformation 0973-2063 19 2023 http://dx.doi.org/10.6026/97320630019749 10.6026/97320630019749

Synthesis of green light emitting fused pyrazolinopiperidines - Photophysical and electrochemical studies Research Papers in Peer Reviewed Journals RSC Advances 3 2013 10.1039/C2RA22259K

Use of quantum mechanics/molecular mechanics-based FEP method for calculating relative binding affinities of FBPase inhibitors for type-2 diabetes Research Papers in Peer Reviewed Journals Theoretical Chemistry Accounts 131 2012 10.1007/s00214-012-1096-z

Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-N-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-N-(pyrazin-2-yl)acetamide Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 72 2016 10.1107/S2056989016012512

An in silico approach to identify potential medicinal plants for treating Alzheimer disease: a case study with acetylcholinesterase Research Papers in Peer Reviewed Journals Journal of Biomolecular Structure and Dynamics 1538-0254 40 2020 http://dx.doi.org/10.1080/07391102.2020.1828170 10.1080/07391102.2020.1828170

Structural Insights into the Molecular Design of HER2 Inhibitors Research Papers in Peer Reviewed Journals Open Pharmaceutical Sciences Journal 1874-8449 3 2016 http://dx.doi.org/10.2174/1874844901603010164 10.2174/1874844901603010164

The role of weak intermolecular C-H. F interactions in supramolecular assembly: Structural investigations on 3,5- Dibenzylidene-piperidin-4-one and database analysis Research Papers in Peer Reviewed Journals Journal of Chemical Sciences 123 2011
Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 73 2017 10.1107/S2056989017011446

Fluorescent aluminum chelate complexes as modified precursors for nano-structured alumina Research Papers in Peer Reviewed Journals Journal of Coordination Chemistry 70 2017 10.1080/00958972.2017.1279280

Reinvestigation of the crystal structure of N-(4-chlorobenzylidene)-2-hydroxyaniline: A three-dimensional structure containing O - H. . .N, O - H. . .O and C - H. . .?(arene) hydrogen bonds Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 74 2018 10.1107/S205698901800244X

Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly Research Papers in Peer Reviewed Journals Acta Crystallographica Section E Crystallographic Communications 2056-9890 76 2020 http://dx.doi.org/10.1107/s205698901901658x 10.1107/s205698901901658x

Synthesis, spectral characterization and crystal structure of a new precursor [(CH3COCHCOCH3)2Zr\{C6H4(N=CHC6H4O)2}] for nano-zirconia: an investigation on the wettability of polyvinylidene fluoride?nano-zirconia composite material Research Papers in Peer Reviewed Journals Journal of Sol-Gel Science and Technology 76 2015 10.1007/s10971-015-3766-5

Four component domino reaction for the synthesis of highly functionalized dimeric tetracyclic dilactam fluorophores: H-bond aided self-assembly Research Papers in Peer Reviewed Journals RSC Advances 4 2014 10.1039/C4RA03622K

3-(7,8,13,14-Tetrahydrodibenzo-[a,i]phenanthridin-5-yl)benzene-1,2-diol Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 66 2010 10.1107/S1600536810023688

1-Methoxy-4-(\{[(4-methoxyphenyl)-sulfanyl](phenyl)methyl}sulfanyl)benzene Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 68 2012 10.1107/S1600536812006320

New metal-organic precursors for MOCVD applications: Synthesis, characterization, crystal structure and thermal properties of mixed-ligand Mg(II) complexes Research Papers in Peer Reviewed Journals Journal of Molecular Structure 1035 2013 10.1016/j.molstruc.2012.11.038

Discovery of dual cation-π inhibitors of acetylcholinesterase: design, synthesis and biological evaluation Research Papers in Peer Reviewed Journals Pharmacological Reports 2299-5684 72 2020 http://dx.doi.org/10.1007/s43440-020-00086-2 10.1007/s43440-020-00086-2

(3E,5E)-3,5-Bis(4-allyloxybenzylidene)-1-benzylpiperidin-4-one Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 65 2009 10.1107/S1600536809046716

Hantzsch 1,4-dihydropyridine esters and analogs: Candidates for generating reproducible one-dimensional packing motifs Research Papers in Peer Reviewed Journals Acta Crystallographica Section B: Structural Science 65 2009 10.1107/S0108768109004832

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 Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Structural Chemistry 72 2016 10.1107/S2053229616012870

HIV-1 associated Topoisomerase IIbeta kinase: A potential pharmacological target for viral replication Research Papers in Peer Reviewed Journals Current Pharmaceutical Design 19 2013 10.2174/1381612811319260008

A green approach for the one-pot multi-component synthesis of N-substituted ?, ? and ?-lactams involving C-N bond formation catalyzed by FeCl3 Research Papers in Peer Reviewed Journals RSC Advances 3 2013 10.1039/C3RA44472D

Dual Behavior of Ammonium Acetate for the Synthesis of Diverse Symmetrical/Unsymmetrical Bis[1,3]oxazines Possessing Anticancer Activity Research Papers in Peer Reviewed Journals Synthetic Communications 45 2015 10.1080/00397911.2015.1074696

2,3-Bis(phenoxymethyl)buta-1,3-diene Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 64 2008 10.1107/S1600536807063404

(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromophenyl)prop-2-en-1-one Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 66 2010 10.1107/S1600536810015552

Crystal structure of (RS)-(4-chlorophenyl)(pyridin-2-yl)methanol Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 72 2016 10.1107/S2056989015023154

(3E,5E)-1-Benzyl-3,5-dibenzyl-idenepiperidin-4-one Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 65 2009 10.1107/S1600536809037659

Disallowed spots in protein structures Research Papers in Peer Reviewed Journals Biochimica et Biophysica Acta ({BBA}) - General Subjects 1867 2023 https://doi.org/10.1016%2Fj.bbagen.2023.130493 10.1016/j.bbagen.2023.130493

Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic 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 Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 75 2019 10.1107/S2056989019001385

Investigations and design of pyridine-2-carboxylic acid thiazol-2-ylamide analogs as methionine aminopeptidase inhibitors using 3D-QSAR and molecular docking Research Papers in Peer Reviewed Journals Medicinal Chemistry Research 23 2014 10.1007/s00044-014-0950-z

Crystal structures of (E)-1-\{3-[(5-fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone and of a fourth polymorph of (E)-1-\{3-[(2-hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 73 2017 10.1107/S2056989017015985

Starch phosphorylase: Role in starch metabolism and biotechnological applications Research Papers in Peer Reviewed Journals Critical Reviews in Biotechnology 29 2009 10.1080/07388550902926063

Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples Research Papers in Peer Reviewed Journals Acta Crystallographica Section E Crystallographic Communications 2056-9890 76 2020 http://dx.doi.org/10.1107/s2056989020005113 10.1107/s2056989020005113

Hepta-coordinated heteroleptic derivatives of zirconium(IV): Synthesis, structural characterization and ring opening polymerization of ?-caprolactone Research Papers in Peer Reviewed Journals Polyhedron 107 2016 10.1016/j.poly.2016.01.035

An insight into the photophysical properties of amide hydrogen bonded N-(benzo[d]thiazol-2-yl) acetamide crystals Research Papers in Peer Reviewed Journals Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 173 2017 10.1016/j.saa.2016.10.007

Statistical descriptors to measure the effectiveness of hydrogen bonding groups and an example of ether oxygen Research Papers in Peer Reviewed Journals CrystEngComm 13 2011 10.1039/C1CE05034F

Eight schiff bases derived from various salicylaldehydes: Phenol?imine and keto?amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Structural Chemistry 74 2018 10.1107/S2053229618012287

Advances in binding free energies calculations: QM/MM-based free energy perturbation method for drug design Research Papers in Peer Reviewed Journals Current Pharmaceutical Design 19 2013 10.2174/1381612811319260002

Dual behavior of 2-tetralone: A new approach for the synthesis of 5-aryl-7,8,13,14-tetrahydrodibenzo[a,i]phenanthridine Research Papers in Peer Reviewed Journals Journal of Heterocyclic Chemistry 46 2009 10.1002/jhet.191

Imatinib (Gleevec at) conformations observed in single crystals, protein-Imatinib co-crystals and molecular dynamics: Implications for drug selectivity Research Papers in Peer Reviewed Journals Journal of Molecular Structure 1018 2012 10.1016/j.molstruc.2012.02.052

NeMedPlant: a database of therapeutic applications and chemical constituents of medicinal plants from north-east region of India in genomic sequences Research Papers in Peer Reviewed Journals Bioinformation 0973-2063 8 2012 http://dx.doi.org/10.6026/97320630008209 10.6026/97320630008209

Categorization of hotspots into three types {\textendash} weak, moderate and strong to distinguish protein{\textendash}protein $\less$i$\greater$versus$\less$/i$\greater$ protein{\textendash}peptide interactions Research Papers in Peer Reviewed Journals Journal of Biomolecular Structure and Dynamics 2023 https://doi.org/10.1080%2F07391102.2023.2252077 10.1080/07391102.2023.2252077

Tuning the Electronic Properties of 2-Cyano-3-phenylacrylamide Derivatives Research Papers in Peer Reviewed Journals Journal of Organic Chemistry 80 2015 10.1080/07391102.2023.2252077

Crystal structure of 2-benzoylamino-N{'}-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 72 2016 10.1107/S2056989016010975

Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products Research Papers in Peer Reviewed Journals Acta Crystallographica Section E Crystallographic Communications 2056-9890 76 2020 http://dx.doi.org/10.1107/s2056989020001735 10.1107/s2056989020001735

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 ... ?(arene) inter-actions Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Crystallographic Communications 74 2018 10.1107/S2056989018009544

In silico screening for identification of novel ?-1,3-glucan synthase inhibitors using pharmacophore and 3D-QSAR methodologies Research Papers in Peer Reviewed Journals SpringerPlus 5 2016 10.1186/s40064-016-2589-3

Selective Synthesis and Structural Confirmation of 1,3-Oxazines and Schiff Bases with Controllable Substitution Patterns Research Papers in Peer Reviewed Journals Asian Journal of Organic Chemistry 1 2012 10.1002/ajoc.201200027

5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 61 2005 10.1107/S1600536805030746

Adducts of bis-(acetylacetonato)-zinc(II) with 1,10-phenanthroline and 2,2?-bipyridine Research Papers in Peer Reviewed Journals Acta Crystallographica Section C: Crystal Structure Communications 64 2008 10.1107/S0108270108003818

Synthesis and crystal structure of a chalcone analog: (2E)-3-(3,4-dimethoxyphenyl)-1-(3-methyl-4-methoxyphenyl)prop-2-en-1-one Research Papers in Peer Reviewed Journals Analytical Sciences: X-ray Structure Analysis Online 22 2006 10.2116/analscix.22.x111

2-(Cyanomethoxy)benzonitrile Research Papers in Peer Reviewed Journals Acta Crystallographica Section E: Structure Reports Online 63 2007 https://doi.org/10.1107/S1600536807001912

Non-Journal Publications
Title of Publication Type of Publication Publisher Role ISBN Year Link to Publication Level
Protein-Peptide Interactions in Regulatory Events Text/Reference/Subject Books/Other Elsevier Co-Author 2019 http://dx.doi.org/10.1016/b978-0-12-809633-8.90694-0 International
Patents
Patent Title Patent Number Patent Level Patent Status
A quick and efficient approach to discover peptide and small molecule-based modulators of protein-protein interaction 202331067473 National Published
Network markers of fMRI-derived connectome for the diagnosis of neuronal disorders 202231042006 National Published
An efficient process of preparation of morpholino-1,3,5-triazine derivatives with a potential for herbicidal activity 202331078141 National Published
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