Shovanlal Gayen

Membrane topology and function of dengue virus NS2A protein

Journal of Virology · 1970 · journal article

Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors

2020

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

Journal of Biological Chemistry · 1970 · journal 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

Journal of Biomolecular Structure and Dynamics · 2021 · journal article

Structure-activity relationship of human carbonic anhydrase-II inhibitors: Detailed insight for future development as anti-glaucoma agents

2019

Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors

Journal of Molecular Structure · 2021 · journal article

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

Biochemical and Biophysical Research Communications · 1970 · journal article

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

Journal of Biomolecular Structure and Dynamics · 1970 · journal article

First structure–activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery

2021

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

Biochimica et Biophysica Acta - Biomembranes · 1970 · journal article

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

Bioorganic and Medicinal Chemistry Letters · 1970 · journal article

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

Bioorganic and Medicinal Chemistry · 1970 · journal article

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

Journal of Molecular Structure · 1970 · journal 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

Journal of Biomolecular Structure and Dynamics · 2020 · journal article

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

Bioorganic and Medicinal Chemistry · 1970 · journal article

Recent Developments on Synthesis of Indole Derivatives Through Green Approaches and Their Pharmaceutical Applications

Current Organic Chemistry · 2020 · journal article

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

Bioorganic and Medicinal Chemistry · 1970 · journal article

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

Antiviral Research · 1970 · journal article

Hydroxyethylamine derivatives as HIV-1 protease inhibitors: a predictive QSAR modelling study based on Monte Carlo optimization

2017

A Review on Camptothecin Analogs with Promising Cytotoxic Profile

2018

Identification of structural requirements and prediction of inhibitory activity of natural flavonoids against Zika virus through molecular docking and Monte Carlo based QSAR Simulation

2017

Identification of covalent active site inhibitors of dengue virus protease

Drug Design, Development and Therapy · 1970 · journal article

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

Computational Biology and Chemistry · 1970 · journal article

Updated chemical scaffolds of ABCG2 inhibitors and their structure-inhibition relationships for future development

European Journal of Medicinal Chemistry · 2022 · journal article

Protease targeted COVID-19 drug discovery: What we have learned from the past SARS-CoV inhibitors?

European Journal of Medicinal Chemistry · 2021 · journal article

Modelling the cytotoxic activity of pyrazolo-triazole hybrids using descriptors calculated from the open source tool “PaDEL-descriptor”

2016

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

SAR and QSAR in Environmental Research · 1970 · journal article

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

European Journal of Medicinal Chemistry · 1970 · journal article

In silico modelling, identification of crucial molecular fingerprints, and prediction of new possible substrates of human organic cationic transporters 1 and 2

New Journal of Chemistry · 1970 · journal article

Are inhibitors of histone deacetylase 8 (HDAC8) effective in hematological cancers especially acute myeloid leukemia (AML) and acute lymphoblastic leukemia (ALL)?

2023

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

Proteins: Structure, Function and Bioinformatics · 1970 · journal article

Monte Carlo based modelling approach for designing and predicting cytotoxicity of 2-phenylindole derivatives against breast cancer cell line MCF7

2018

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

European Journal of Medicinal Chemistry · 1970 · journal article

NMR solution structure of subunit F of the methanogenic A 1A O adenosine triphosphate synthase and its interaction with the nucleotide-binding subunit B

Biochemistry · 1970 · journal article

Antibacterial activity of Abies webbiana

Fitoterapia · 1970 · journal article

A review of MMP-2 structures and binding mode analysis of its inhibitors to strategize structure-based drug design

2022

First Report on 3‐(3‐oxoaryl) Indole Derivatives as Anticancer Agents: Microwave Assisted Synthesis, In Vitro Screening and Molecular Docking Studies

ChemistrySelect · 2019 · journal article

Density functional theory (DFT) studies in HDAC-based chemotherapeutics: Current findings, case studies and future perspectives

2024

Exploring sodium glucose cotransporter (SGLT2) inhibitors with machine learning approach: A novel hope in anti-diabetes drug discovery

Journal of Molecular Graphics and Modelling · 2022 · journal article

Investigation of the Detailed Internal Structure and Dynamics of Itraconazole by Solid-State NMR Measurements

2019

Recent trends in fragment-based anticancer drug design strategies against different targets: A mini-review

Biochemical Pharmacology · 2022 · journal article

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

SAR and QSAR in Environmental Research · 2019 · journal article

Structural exploration of hydroxyethylamines as HIV-1 protease inhibitors: new features identified

2018

Lysozyme in egg whites of tortoises and turtle

1977

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

Current Protein and Peptide Science · 1970 · journal article

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

Biochemical and Biophysical Research Communications · 1970 · journal article

Possible binding mode analysis of pyrazolo-Triazole hybrids as potential anticancer agents through validated molecular docking and 3D-QSAR modeling approaches

Letters in Drug Design and Discovery · 1970 · journal article

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

Canadian Journal of Chemistry · 1970 · journal article

NMR structural study of the intracellular loop 3 of the serotonin 5-HT <inf>1A</inf> receptor and its interaction with calmodulin

Biochimica et Biophysica Acta - Biomembranes · 1970 · journal article

Small-angle X-ray scattering reveals the solution structure of the peripheral stalk subunit H of the A1A0 ATP synthase from Methanocaldococcus jannaschii and its binding to the catalytic A subunit

Biochemistry · 1970 · journal article

QSAR modeling on dopamine D<inf>2</inf> receptor binding affinity of 6-methoxy benzamides

Farmaco · 1970 · journal article

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

Journal of Biomolecular Structure and Dynamics · 2019 · journal article

Insight into the structural requirements of theophylline-based aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors through multi-QSAR modeling and molecular docking approaches

Current Drug Discovery Technologies · 1970 · journal article

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

Journal of Peptide Science · 1970 · journal article

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

Journal of Molecular Modeling · 1970 · journal article

How the structural properties of the indole derivatives are important in kinase targeted drug design?: A case study on tyrosine kinase inhibitors

Bioorganic & Medicinal Chemistry · 2022 · journal article

Urea transporter and its specific and nonspecific inhibitors: State of the art and pharmacological perspective

European Journal of Pharmacology · 2021 · journal article

Understanding the correlation between structure and dynamics of clocortolone pivalate by solid state NMR measurement

2020

Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G1-59) of the Saccharomyces cerevisiae V1VO ATPase

Biochimica et Biophysica Acta - Bioenergetics · 1970 · journal article

2-Phenylindole derivatives as anticancer agents: synthesis and screening against murine melanoma, human lung and breast cancer cell lines

Synthetic Communications · 2019 · journal article

Quantitative Structure-Activity Relationship Study on Some Azidopyridinyl Neonicotinoid Insecticides for Their Selective Affinity Towards the Drosophila Nicotinic Receptor Over Mammalian a4ß2 Receptor Using Electrotopological State Atom Index

2003

Solution structure, determined by nuclear magnetic resonance, of the b30-82 domain of subunit b of Escherichia coli F1Fo ATP synthase

Journal of Bacteriology · 1970 · journal article

An atomic resolution description of folic acid using solid state NMR measurements

RSC Advances · 1970 · journal article

Identification of molecular fingerprints of natural products for the inhibition of breast cancer resistance protein (BCRP)

2021

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

SAR and QSAR in Environmental Research · 2020 · journal article

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

Journal of Biomolecular Structure and Dynamics · 2019 · journal article

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

Bioorganic and Medicinal Chemistry · 1970 · journal article

Designing potential antitrypanosomal thiazol-2-ethylamines through predictive regression based and classification based QSAR analyses

Current Drug Discovery Technologies · 1970 · journal article

Structure and dynamics of sodium alginate as elucidated by chemical shift anisotropy and site-specific spin–lattice relaxation time measurements

2021

Exploring naphthyl derivatives as SARS-CoV papain-like protease (PLpro) inhibitors and its implications in COVID-19 drug discovery

2021

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

Molecules · 1970 · journal article

Derivatives of D(−) glutamine-based MMP-2 inhibitors as an effective remedy for the management of chronic myeloid leukemia-Part-I: Synthesis, biological screening and in silico binding interaction analysis

2024

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

Journal of Biomolecular Structure and Dynamics · 2019 · journal article

The crystal structure of tortoise egg-white lysozyme at 6 Å resolution

1980

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

Microbial Cell Factories · 1970 · journal article

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

Molecular Membrane Biology · 1970 · journal article

QSAR modeling of neonicotinoid insecticides for their selective affinity towards Drosophila nicotinic receptors over mammalian α<inf>4</inf>β <inf>2</inf> receptors

Canadian Journal of Chemistry · 1970 · journal article

Homoisoflavonoids as potential antiangiogenic agents for retinal neovascularization

Biomedicine and Pharmacotherapy · 1970 · journal article

Multilayered screening for multi-targeted anti-Alzheimer’s and anti-Parkinson’s agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors

2025

Histone deacetylase 8 in focus: Decoding structural prerequisites for innovative epigenetic intervention beyond hydroxamates

2024

Unraveling HDAC11: Epigenetic orchestra in different diseases and structural insights for inhibitor design

Biochemical Pharmacology · 2024 · journal article

Binary quantitative activity-activity relationship (QAAR) studies to explore selective HDAC8 inhibitors: In light of mathematical models, DFT-based calculation and molecular dynamic simulation studies

2022

Integrating regression and classification-based QSARs with molecular docking analyses to explore the structure-antiaromatase activity relationships of letrozole-based analogs

2017

First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening, molecular docking, ADMET, MD simulation, and DFT studies

2024

Recent Developments on Synthesis of Organofluorine Compounds Using Green Approaches

Current Organic Chemistry · 2023 · journal article

Structural requirements of some derivatives based on natural alkaloid lycorine for their dengue inhibitory activity to accelerate dengue drug discovery efforts

2016

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

Biochimica et Biophysica Acta - Biomembranes · 1970 · journal article

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

Structural Chemistry · 1970 · journal article

Advances in structure-activity relationships of HDAC inhibitors as HIV latency-reversing agents

2024

First molecular modelling report on tri-substituted pyrazolines as phosphodiesterase 5 (PDE5) inhibitors through classical and machine learning based multi-QSAR analysis

SAR and QSAR in Environmental Research · 2021 · journal article

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

Toxicology Mechanisms and Methods · 2020 · journal article

An integrated QSAR modeling approach to explore the structure–property and selectivity relationships of N-benzoyl-l-biphenylalanines as integrin antagonists

2017

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

FEBS Journal · 1970 · journal article

A detail survey and analysis of selectivity criteria for indole-based histone deacetylase 8 (HDAC8) inhibitors

Journal of Molecular Structure · 2023 · journal article

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

Biomolecular NMR Assignments · 1970 · journal article

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

Protein Expression and Purification · 1970 · journal article

Low resolution structure of subunit b (b 22-156) of Escherichia coli F1FO ATP synthase in solution and the b-δ assembly

Journal of Bioenergetics and Biomembranes · 1970 · journal article

Unveiling critical structural features for effective HDAC8 inhibition: a comprehensive study using quantitative read-across structure–activity relationship (q-RASAR) and pharmacophore modeling

2024

Unmasking of crucial structural fragments for coronavirus protease inhibitors and its implications in COVID-19 drug discovery

2021

An Integrated Multi-QSAR Modeling Approach for Designing Knoevenagel- Type Indoles with Enhancing Cytotoxic Profiles

2017

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

Biochemical and Biophysical Research Communications · 1970 · journal article

Exploring indole derivatives as myeloid cell leukaemia-1 (Mcl-1) inhibitors with multi-QSAR approach: a novel hope in anti-cancer drug discovery

New Journal of Chemistry · 1970 · journal article

Derivatives of D(−)-glutamine-based MMP-2 inhibitors as an effective remedy for the management of chronic myeloid leukemia-Part-III: Synthesis, biological screening and in silico binding interaction analysis

2024

ML-based Read-Across Structure-Property Relationship (RASPR) strategy for predicting protein resistance of self-assembled monolayers (SAMs) as anti-biofouling materials

2024

Exploring molecular fragments for fraction unbound in human plasma of chemicals: a fragment-based cheminformatics approach

2024

Crosstalk along the stalk: Dynamics of the interaction of subunits B and F in the A<inf>1</inf>A<inf>O</inf> ATP synthase of methanosarcina mazei Gö1

Biochemistry · 1970 · journal article

A critical analysis of urea transporter B inhibitors: molecular fingerprints, pharmacophore features for the development of next-generation diuretics

Molecular Diversity · 2022 · journal article

Domain features of the peripheral stalk subunit H of the methanogenic A1AO ATP synthase and the NMR solution structure of H 1-47

Biophysical Journal · 1970 · journal article

Quantitative structure-activity relationship study on some azidopyridinyl neonicotinoid insecticides for their selective affinity towards the Drosophila nicotinic receptor over mammalian α<inf>4</inf>β<inf>2</inf> receptor using electrotopological state atom index

Drug Design and Discovery · 1970 · journal article

PPARγ modulator predictor (PGMP_v1): chemical space exploration and computational insights for enhanced type 2 diabetes mellitus management

Molecular Diversity · 2025 · journal article

Identification of structural fingerprints among natural inhibitors of HDAC1 to accelerate nature-inspired drug discovery in cancer epigenetics

Journal of Biomolecular Structure and Dynamics · 2024 · journal article

Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification

Beilstein Journal of Nanotechnology · 2024 · journal article

Interaction of systemic drugs causing ocular toxicity with organic cation transporter: an artificial intelligence prediction

Journal of Biomolecular Structure and Dynamics · 2024 · journal article

Exploring different classification-dependent QSAR modelling strategies for HDAC3 inhibitors in search of meaningful structural contributors

SAR and QSAR in Environmental Research · 2024 · journal article

Exploration of Fingerprints and Data Mining-based Prediction of Some Bioactive Compounds from Allium sativum as Histone Deacetylase 9 (HDAC9) Inhibitors

2024

Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A<inf>1</inf>A<inf>O</inf> ATP synthase subunit e revealed by X-ray diffraction and small-angle X-ray scattering

Journal of Bioenergetics and Biomembranes · 1970 · journal article

NMR solution structure of the N-terminal domain of subunit e (E 1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii

Journal of Bioenergetics and Biomembranes · 1970 · journal article

Machine learning-assisted comparative QSTR, i-QSTTR, qRASTR, and i-qRASTTR modelling for toxicity of Ionic liquids against three different bacteria S. aureus, E. coli, and P. aeruginosa

Journal of Hazardous Materials · 2025 · journal article

First report on analysis of chemical space, scaffold diversity, critical structural features of HDAC11 inhibitors

Molecular Diversity · 2025 · journal article

A semiempirical and machine learning approach for fragment-based structural analysis of non-hydroxamate HDAC3 inhibitors

2025

Fragment-based QSAR study to explore the structural requirements of DPP-4 inhibitors: a stepping stone towards better type 2 diabetes mellitus management

2024

Quasi-SMILES as a Tool for Peptide QSAR Modelling

2023

NMR solution structure of the b30-82 domain of subunit b of Escherichia coli F1FO ATP synthase

2009

Dengue virus-host interactions: Structural and mechanistic insights for future therapeutic strategies

2025

Modelling of intrinsic membrane permeability of drug molecules by explainable ML-based q-RASPR approach towards better pharmacokinetics and toxicokinetics properties

2025

Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach

Computational Biology and Chemistry · 2024 · journal article

HDAC9 as a Privileged Target: Reviewing its Role in Different Diseases and Structure-activity Relationships (SARs) of its Inhibitors

Mini-Reviews in Medicinal Chemistry · 2024 · journal article

Structural findings of pyrazolo[1,5- a ]pyrimidine compounds for their Pim-1/2 kinase inhibition as potential anticancer agents

2017

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

Biochemical and Biophysical Research Communications · 1970 · journal article

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

Journal of Peptide Science · 1970 · journal article

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

Journal of Bioenergetics and Biomembranes · 1970 · journal article

NMR solution structure of NBD94483-502 of the nucleotide-binding domain of the Plasmodium yoelii reticulocyte-binding protein Py235

FEMS Microbiology Letters · 1970 · journal article

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

Biomolecular NMR Assignments · 1970 · journal article

Nitrogen-containing heterocycles as important scaffold for selective and potent HDAC8 inhibition: a step towards effective, non-toxic and selective HDAC8 inhibitor discovery

Journal of Biomolecular Structure and Dynamics · 2026 · journal article

Exploring DPP-4: Implications in diverse diseases and structural insights for novel inhibitor design

2025

Machine learning-based structural analysis of OATP1B1 interactors/non-interactors: Discriminating toxic and non-toxic alerts for transporter-mediated toxicity

Computational Toxicology · 2025 · journal article

Cheminformatics in advancing dengue antiviral research: From conventional molecular modeling (MM) to current artificial intelligence (AI) approaches

2025

First report on machine learning based multiclass classification of Caco-2 permeability using different balancing strategies

2025

2D-QSAR Studies

2023

In-house glutamine based compound loaded poly-(D-L-lactide-coglycolide) nanoparticles as a possible candidate for the management of chronic myeloid leukemia

2023

Exploring molecular fingerprints of different drugs having bile interaction: a stepping stone towards better drug delivery

2023

In Silico Discovery of Class IIb HDAC Inhibitors: The State of Art

2023

Role of Artificial Intelligence in the Toxicity Prediction of Drugs

2023

Current Discovery Progress of Some Emerging Anti-infective Chalcones: Highlights from 2016 to 2017

2018

1,5-N,N'-Disubstituted-2-(Substituted Benzenesulphonyl)- Glutamamide Analogues as Anticancer Agents. Part 3. † Synthesis, Biological Screening and QSAR Study #

2005

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 H85-104

FEBS Letters · 1970 · journal article

Modeling Inhibitors of Gelatinases

2023

Other Modeling Approaches

2023

First Report on the Validated Classification-Based Chemometric Modeling of Human Rhinovirus 3C Protease (HRV 3Cpro) Inhibitors

2018

Integrin Antagonists: A Special Emphasis on Structural Requirements of N-benzoyl-L-biphenylalanines as α4β7 and α4β1 Antagonists

2018

QSAR Study on Some Antirhino/Enteroviral Vinylacetylene Benzimidazoles

2003

An integrated machine learning and chemical space network approach for the design of potent epigenetic HDAC6 inhibitors for targeting neurological disorders

Molecular Diversity · 2026 · journal article

Author response for "A new class of Indole-based HDAC8 inhibitors as potential anti-lung cancer agents: In silico design, synthesis, biological assessment and binding interaction analysis"

2026

Read‐Across Structure‐Property Relationship‐Based Superior Prediction of Fraction Unbound in Plasma from Chemical Structure: Interpretable Models with Minimum Descriptors

Molecular Informatics · 2026 · journal article

A battleship between hydroxamates versus non-hydroxamates: Exploring semi-empirical quantum properties, chemical space network, activity landscape, scaffold diversity of HDAC3 inhibitors to improve memory and learning

2025

Arthropoda:Arachnida:Acari

2024

Gelatinases and Their Inhibitors

2023

Exploring structural requirements of HDAC10 inhibitors through comparative machine learning approaches

Journal of Molecular Graphics and Modelling · 2023 · journal article

Insight into the structural requirements of gelatinases (MMP-2 and MMP-9) inhibitors by multiple validated molecular modelling approaches: Part II

SAR and QSAR in Environmental Research · 2022 · journal article

Monte Carlo Optimization-Based QSAR Study of Some Indole-Based Mcl-1 Inhibitors

2021

Biopolymeric hydrogels prepared via click chemistry as carriers of therapeutic modalities

2021

List of contributors

2021

Supplementary material : Homoisoflavonoids as potential antiangiogenic agents for retinal neovascularization

2017

Iconography : Homoisoflavonoids as potential antiangiogenic agents for retinal neovascularization

2017

Quantitative Design Property Connections (QSPRs) Numerically Interface Physical or Substance Properties with the Construction of an Atom

2015

Backbone assignment of an unlinked NS2B and NS3 protease complex of dengue virus 2

2013

Subunit F modulates ATP binding and migration in the nucleotide-binding subunit B of the A[subscript 1]A[subscript O] ATP synthase of Methanosarcina mazei Gö1

2012

Crystal structure of the C-terminal part of subunit E (E101-206) from Methanocaldococcus jannaschii of A1AO ATP synthase

2010

The stalks of the motor A1A0 ATP synthase come into the focus : structural insight into subunits E, F and H

2010

Structural insight into the motor protein A₁A₀ATP synthase and implications in coupling events

2009

Association of subunit d (Vma6p) and E (Vma4p) with G (Vma10p) and the NMR solution structure of subunit G (G1-59) of the Saccharomyces cerevisiae V1VO ATPase

2008

S1.32 Intermediate positions of ATP on its trail to the binding pocket of subunit B and the high resolution structure of its neighbouring subunit F of the A1AO A1A0 ATP synthase

2008

Structural findings of pyrazolo[1,5-a]pyrimidine compounds for their Pim-1/2 kinase inhibition as potential anticancer agents

Indian Journal of Biochemistry and Biophysics · 1970 · journal article

Structural requirements of some derivatives based on natural alkaloid lycorine for their dengue inhibitory activity to accelerate dengue drug discovery efforts

Indian Journal of Natural Products and Resources · 1970 · journal article

QSAR study on some synthesized and biologically evaluated glutamine analogs as possible anticancer agents

Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry · 1970 · journal article

A new class of indole-based HDAC8 inhibitors as potential anti-lung cancer agents: in silico design, synthesis, biological assessment and binding interaction analysis

RSC Medicinal Chemistry · 1970 · journal article