List of works - Shovanlal Gayen

1H, 13C, and 15N resonance assignments of subunit F of the A1AO ATP synthase from Methanosarcina mazei Gö1

5-N-Substituted-2-(substituted benzenesulphonyl) glutamines as antitumor agents. Part II: synthesis, biological activity and QSAR study

scientific article published in March 2004

An NMR study of the N-terminal domain of wild-type hERG and a T65P trafficking deficient hERG mutant.

scientific article

An integrated ligand-based modelling approach to explore the structure-property relationships of influenza endonuclease inhibitors

Antibacterial activity of Abies webbiana

Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G(1-59)) of the Saccharomyces cerevisiae V(1)V(O) ATPase

scientific article

Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors

scientific article published on 22 June 2020

Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents

scientific article published on 8 December 2014

Crosstalk along the stalk: dynamics of the interaction of subunits B and F in the A(1)A(O) ATP synthase of Methanosarcina mazei Gö1.

scientific article

Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering

scientific article

Designing Potential Antitrypanosomal Thiazol-2-ethylamines through Predictive Regression Based and Classification Based QSAR Analyses.

scientific article

Disulfide linkage in the coiled-coil domain of subunit H of A1AO ATP synthase from Methanocaldococcus jannaschii and the NMR structure of the C-terminal segment H(85-104).

scientific article published on 22 December 2009

Domain Features of the Peripheral Stalk Subunit H of the Methanogenic A1AO ATP Synthase and the NMR Solution Structure of H1-47

scientific article

Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling

scientific article published on 30 May 2019

Exploring QSAR on 3-aminopyrazoles as antitumor agents for their inhibitory activity of CDK2/cyclin A

Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques.

scientific article published on 29 January 2017

Exploring structural requirements of unconventional Knoevenagel-type indole derivatives as anticancer agents through comparative QSAR modeling approaches

article

Exploring the binding of peptidic West Nile virus NS2B-NS3 protease inhibitors by NMR.

scientific article published on 2 December 2012

Expression and purification of the p75 neurotrophin receptor transmembrane domain using a ketosteroid isomerase tag.

scientific article published on 17 April 2012

First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington's disease: A proposal to chemists!

scientific article published in November 2016

First report on the structural exploration and prediction of new BPTES analogs as glutaminase inhibitors

article

Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition: identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR study

scientific article published on 31 January 2019

Homoisoflavonoids as potential antiangiogenic agents for retinal neovascularization.

scientific article published on 8 September 2017

Identification of covalent active site inhibitors of dengue virus protease

scientific article published on 10 December 2015

Identification of critical residues of subunit H in its interaction with subunit E of the A-ATP synthase from Methanocaldococcus jannaschii

scientific article published on 8 March 2008

Identification of structural fingerprints for ABCG2 inhibition by using Monte Carlo optimization, Bayesian classification, and structural and physicochemical interpretation (SPCI) analysis

scientific article published on 15 June 2020

Identification of structural fingerprints for in vivo toxicity by using Monte Carlo based QSTR modeling of nitroaromatics

scientific article published on 07 January 2020

Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer

scientific article published on 03 June 2019

Insight into the Structural Requirements of Theophylline-Based Aldehyde Dehydrogenase lAl (ALDHlAl) Inhibitors Through Multi-QSAR Modeling and Molecular Docking Approaches

scientific article published on 01 January 2016

Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches.

scientific article published on 21 March 2017

Low resolution structure of subunit b (b (22-156)) of Escherichia coli F(1)F(O) ATP synthase in solution and the b-delta assembly

scientific article published on 31 July 2008

Membrane Topology and Function of Dengue Virus NS2A Protein

scientific article

NMR analysis of a novel enzymatically active unlinked dengue NS2B-NS3 protease complex

scientific article published on 19 March 2013

NMR solution structure of NBD94(483-502) of the nucleotide-binding domain of the Plasmodium yoelii reticulocyte-binding protein Py235.

scientific article

NMR solution structure of subunit F of the methanogenic A1AO adenosine triphosphate synthase and its interaction with the nucleotide-binding subunit B

scientific article

NMR solution structure of the N-terminal domain of hERG and its interaction with the S4-S5 linker

scientific article

NMR solution structure of the N-terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii

scientific article

NMR structural study of the intracellular loop 3 of the serotonin 5-HT(1A) receptor and its interaction with calmodulin

scientific article

Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development

scientific article published on 11 January 2017

Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches

Purification and structural characterization of the voltage-sensor domain of the hERG potassium channel.

scientific article published on 3 October 2012

QSAR modeling of neonicotinoid insecticides for their selective affinity towards Drosophila nicotinic receptors over mammalian α4β2 receptors

scholarly article by Anindya Basu et al published March 2006 in Canadian Journal of Chemistry

QSAR modeling on dopamine D2 receptor binding affinity of 6-methoxy benzamides

scientific article published in August 2005

QSAR study on some anti-HIV HEPT analogues using physicochemical and topological parameters

scientific article published in March 2004

QSAR study on some pyridoacridine ascididemin analogues as anti-tumor agents

scientific article published on December 2003

Quantitative Structure-Activity Relationship Study on Some Azidopyridinyl Neonicotinoid Insecticides for Their Selective Affinity Towards the Drosophila Nicotinic Receptor Over Mammalian ?4?2 Receptor Using Electrotopological State Atom Index

scholarly article by BIKASH DEBNATH et al published 1 April 2003 in Drug design and discovery

Quantitative structure-activity relationship study on some benzodiazepine derivatives as anti-Alzheimer agents

scientific article published on 17 September 2004

Quantitative structure-activity relationship study using refractotopological state atom index on some neonicotinoid insecticides

scientific article published on December 2004

Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques

scientific article published on 11 January 2019

Secondary structure and membrane topology of dengue virus NS4B N-terminal 125 amino acids

scientific article published on 21 September 2015

Small-Angle X-ray Scattering Reveals the Solution Structure of the Peripheral Stalk Subunit H of the A1AOATP Synthase fromMethanocaldococcus jannaschiiand Its Binding to the Catalytic A Subunit†

scientific article published in 2007

Solution NMR study of the transmembrane domain of single-span membrane proteins: opportunities and strategies

scientific article published on September 2012

Solution Structure, Determined by Nuclear Magnetic Resonance, of the b30-82 Domain of Subunit b of Escherichia coli F1Fo ATP Synthase

scientific article

Solution structure of a human minimembrane protein Ost4, a subunit of the oligosaccharyltransferase complex ⬇️

scientific article published on May 15, 2011

Solution structure of subunit F (Vma7p) of the eukaryotic V(1)V(O) ATPase from Saccharomyces cerevisiae derived from SAXS and NMR spectroscopy.

scientific article

Spectroscopical identification of residues of subunit G of the yeast V-ATPase in its connection with subunit E

scientific article published on 01 August 2008

Structural analysis of the S4-S5 linker of the human KCNQ1 potassium channel.

scientific article

Structural insight into the transmembrane segments 3 and 4 of the hERG potassium channel

scholarly article by Qingxin Li published in October 2014

Structural refinement and prediction of potential CCR2 antagonists through validated multi-QSAR modeling studies.

scientific article published on 18 December 2017

Structure of the C-terminal region of the Frizzled receptor 1 in detergent micelles.

scientific article published on 22 July 2013

Subunit F modulates ATP binding and migration in the nucleotide-binding subunit B of the A(1)A(O) ATP synthase of Methanosarcina mazei Gö1.

scientific article published on 14 February 2012

The solution structure of the S4-S5 linker of the hERG potassium channel

West Nile Virus (WNV) protease and membrane interactions revealed by NMR spectroscopy

scientific article published on 16 June 2012

¹H, ¹³C and ¹⁵N chemical shift assignments for an intracellular proteinase inhibitor of Bacillus subtilis

scientific article

List of works by Shovanlal Gayen

1H, 13C, and 15N resonance assignments of subunit F of the A1AO ATP synthase from Methanosarcina mazei Gö1

5-N-Substituted-2-(substituted benzenesulphonyl) glutamines as antitumor agents. Part II: synthesis, biological activity and QSAR study

An NMR study of the N-terminal domain of wild-type hERG and a T65P trafficking deficient hERG mutant.

An integrated ligand-based modelling approach to explore the structure-property relationships of influenza endonuclease inhibitors

Antibacterial activity of Abies webbiana

Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G(1-59)) of the Saccharomyces cerevisiae V(1)V(O) ATPase

Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors

Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents

Crosstalk along the stalk: dynamics of the interaction of subunits B and F in the A(1)A(O) ATP synthase of Methanosarcina mazei Gö1.

Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering

Designing Potential Antitrypanosomal Thiazol-2-ethylamines through Predictive Regression Based and Classification Based QSAR Analyses.

Disulfide linkage in the coiled-coil domain of subunit H of A1AO ATP synthase from Methanocaldococcus jannaschii and the NMR structure of the C-terminal segment H(85-104).

Domain Features of the Peripheral Stalk Subunit H of the Methanogenic A1AO ATP Synthase and the NMR Solution Structure of H1-47

Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling

Exploring QSAR on 3-aminopyrazoles as antitumor agents for their inhibitory activity of CDK2/cyclin A

Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques.

Exploring structural requirements of unconventional Knoevenagel-type indole derivatives as anticancer agents through comparative QSAR modeling approaches

Exploring the binding of peptidic West Nile virus NS2B-NS3 protease inhibitors by NMR.

Expression and purification of the p75 neurotrophin receptor transmembrane domain using a ketosteroid isomerase tag.

First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington's disease: A proposal to chemists!

First report on the structural exploration and prediction of new BPTES analogs as glutaminase inhibitors

Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition: identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR study

Homoisoflavonoids as potential antiangiogenic agents for retinal neovascularization.

Identification of covalent active site inhibitors of dengue virus protease

Identification of critical residues of subunit H in its interaction with subunit E of the A-ATP synthase from Methanocaldococcus jannaschii

Identification of structural fingerprints for ABCG2 inhibition by using Monte Carlo optimization, Bayesian classification, and structural and physicochemical interpretation (SPCI) analysis

Identification of structural fingerprints for in vivo toxicity by using Monte Carlo based QSTR modeling of nitroaromatics

Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer

Insight into the Structural Requirements of Theophylline-Based Aldehyde Dehydrogenase lAl (ALDHlAl) Inhibitors Through Multi-QSAR Modeling and Molecular Docking Approaches

Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches.

Low resolution structure of subunit b (b (22-156)) of Escherichia coli F(1)F(O) ATP synthase in solution and the b-delta assembly

Membrane Topology and Function of Dengue Virus NS2A Protein

NMR analysis of a novel enzymatically active unlinked dengue NS2B-NS3 protease complex

NMR solution structure of NBD94(483-502) of the nucleotide-binding domain of the Plasmodium yoelii reticulocyte-binding protein Py235.

NMR solution structure of subunit F of the methanogenic A1AO adenosine triphosphate synthase and its interaction with the nucleotide-binding subunit B

NMR solution structure of the N-terminal domain of hERG and its interaction with the S4-S5 linker

NMR solution structure of the N-terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii

NMR structural study of the intracellular loop 3 of the serotonin 5-HT(1A) receptor and its interaction with calmodulin

Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development

Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches

Purification and structural characterization of the voltage-sensor domain of the hERG potassium channel.

QSAR modeling of neonicotinoid insecticides for their selective affinity towards Drosophila nicotinic receptors over mammalian α4β2 receptors

QSAR modeling on dopamine D2 receptor binding affinity of 6-methoxy benzamides

QSAR study on some anti-HIV HEPT analogues using physicochemical and topological parameters

QSAR study on some pyridoacridine ascididemin analogues as anti-tumor agents

Quantitative Structure-Activity Relationship Study on Some Azidopyridinyl Neonicotinoid Insecticides for Their Selective Affinity Towards the Drosophila Nicotinic Receptor Over Mammalian ?4?2 Receptor Using Electrotopological State Atom Index

Quantitative structure-activity relationship study on some benzodiazepine derivatives as anti-Alzheimer agents

Quantitative structure-activity relationship study using refractotopological state atom index on some neonicotinoid insecticides

Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques

Secondary structure and membrane topology of dengue virus NS4B N-terminal 125 amino acids

Small-Angle X-ray Scattering Reveals the Solution Structure of the Peripheral Stalk Subunit H of the A1AOATP Synthase fromMethanocaldococcus jannaschiiand Its Binding to the Catalytic A Subunit†

Solution NMR study of the transmembrane domain of single-span membrane proteins: opportunities and strategies

Solution Structure, Determined by Nuclear Magnetic Resonance, of the b30-82 Domain of Subunit b of Escherichia coli F1Fo ATP Synthase

Solution structure of a human minimembrane protein Ost4, a subunit of the oligosaccharyltransferase complex ⬇️

Solution structure of subunit F (Vma7p) of the eukaryotic V(1)V(O) ATPase from Saccharomyces cerevisiae derived from SAXS and NMR spectroscopy.

Spectroscopical identification of residues of subunit G of the yeast V-ATPase in its connection with subunit E

Structural analysis of the S4-S5 linker of the human KCNQ1 potassium channel.

Structural insight into the transmembrane segments 3 and 4 of the hERG potassium channel

Structural refinement and prediction of potential CCR2 antagonists through validated multi-QSAR modeling studies.

Structure of the C-terminal region of the Frizzled receptor 1 in detergent micelles.

Subunit F modulates ATP binding and migration in the nucleotide-binding subunit B of the A(1)A(O) ATP synthase of Methanosarcina mazei Gö1.

The solution structure of the S4-S5 linker of the hERG potassium channel

West Nile Virus (WNV) protease and membrane interactions revealed by NMR spectroscopy

¹H, ¹³C and ¹⁵N chemical shift assignments for an intracellular proteinase inhibitor of Bacillus subtilis