List of works - Abhinav Grover

Abrogation of AuroraA-TPX2 by novel natural inhibitors: molecular dynamics-based mechanistic analysis

scientific article published on 22 September 2015

Ashwagandha derived withanone targets TPX2-Aurora A complex: computational and experimental evidence to its anticancer activity

scientific article

Blocking protein kinase C signaling pathway: mechanistic insights into the anti-leishmanial activity of prospective herbal drugs from Withania somnifera

scientific article

Blocking the chaperone kinome pathway: Mechanistic insights into a novel dual inhibition approach for supra-additive suppression of malignant tumors ⬇️

scientific article published on December 6, 2010

Checking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its Application for Drug Repurposing

scientific article

Cheminformatics Based Machine Learning Models for AMA1-RON2 Abrogators for Inhibiting Plasmodium falciparum Erythrocyte Invasion

scientific article

Cheminformatics models based on machine learning approaches for design of USP1/UAF1 abrogators as anticancer agents

scientific article published on 30 January 2015

Computational Evidence to Inhibition of Human Acetyl Cholinesterase by Withanolide A for Alzheimer Treatment ⬇️

scientific article published on January 1, 2012

Computational Structure-Based De Novo Design of Hypothetical Inhibitors against the Anti- Inflammatory Target COX-2

scientific article

Computational identification of novel natural inhibitors of glucagon receptor for checking type II diabetes mellitus

scientific article

Correlation of compliance to statin therapy with lipid profile and serum HMGCoA reductase levels in dyslipidemic patients

scientific article published in August 2016

Design, synthesis, cytotoxicity, HuTopoIIα inhibitory activity and molecular docking studies of pyrazole derivatives as potential anticancer agents

scientific article published on 05 October 2016

Development of dual inhibitors against Alzheimer's disease using fragment-based QSAR and molecular docking

scientific article

Embelin inhibits TNF-α converting enzyme and cancer cell metastasis: molecular dynamics and experimental evidence

scientific article

Enhanced withanolide production by overexpression of squalene synthase in Withania somnifera

scientific article

Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia

scientific article published on 29 October 2015

Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the α-β interfacial site of human tubulin

scientific article published on 8 December 2014

Functional analysis of the binding model of microbial inulinases using docking and molecular dynamics simulation

scientific article published on 8 March 2016

GQSAR modeling and combinatorial library generation of 4-phenylquinazoline-2-carboxamide derivatives as antiproliferative agents in human Glioblastoma tumors

scientific article

Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53-MDM2.

scientific article

Hsp90/Cdc37 Chaperone/co-chaperone complex, a novel junction anticancer target elucidated by the mode of action of herbal drug Withaferin A ⬇️

scientific article published on February 15, 2011

Hsp90: Friends, clients and natural foes.

scientific article published on 10 June 2016

Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations

scientific article published on 10 February 2016

In silico study of peptide inhibitors against BACE 1.

scientific article

Inhibition of the NEMO/IKKβ association complex formation, a novel mechanism associated with the NF-κB activation suppression by Withania somnifera's key metabolite withaferin A.

scientific article

Integrating network, sequence and functional features using machine learning approaches towards identification of novel Alzheimer genes

scientific article

Mechanistic analysis elucidating the relationship between Lys96 mutation in Mycobacterium tuberculosis pyrazinamidase enzyme and pyrazinamide susceptibility

scientific article published on 21 January 2015

Mechanistic insights into mode of action of novel natural cathepsin L inhibitors

scientific article

Mechanistic insights into mode of actions of novel oligopeptidase B inhibitors for combating leishmaniasis

scientific article

Mechanistic insights into the dual inhibition strategy for checking Leishmaniasis.

scientific article

Molecular Characterization and Enhancement of Anticancer Activity of Caffeic Acid Phenethyl Ester by γ Cyclodextrin

scientific article published on 11 August 2016

Molecular Modeling and Virtual Screening Approach to Discover Potential Antileishmanial Inhibitors Against Ornithine Decarboxylase

scientific article

Molecular dynamics-based identification of novel natural mortalin-p53 abrogators as anticancer agents

scientific article

Molecular interactions of Bcl-2 and Bcl-xL with mortalin: identification and functional characterization

scientific article published on 16 October 2013

Molecular modeling and lead design of substituted zanamivir derivatives as potent anti-influenza drugs

scientific article

Molecular modeling and molecular dynamics simulations based structural analysis of the SG2NA protein variants

scientific article

Natural polyphenolic inhibitors against the antiapoptotic BCL-2.

scientific article published on 6 March 2017

Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin A ⬇️

scientific article published on November 30, 2011

Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agents

scientific article

Predicting stable functional peptides from the intergenic space of E. coli

scientific article

Probing the anticancer mechanism of prospective herbal drug Withaferin A on mammals: a case study on human and bovine proteasomes ⬇️

scientific article published on December 2, 2010

Resisting resistant Mycobacterium tuberculosis naturally: mechanistic insights into the inhibition of the parasite's sole signal peptidase Leader peptidase B.

scientific article

Structural Basis For Drug Resistance Mechanisms Against EGFR.

scientific article

Structural insights into mode of actions of novel natural Mycobacterium protein tyrosine phosphatase B inhibitors

scientific article

Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships

scientific article published on 26 May 2015

Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease

scientific article published on 16 December 2015

Targeting Mortalin by Embelin Causes Activation of Tumor Suppressor p53 and Deactivation of Metastatic Signaling in Human Breast Cancer Cells

scientific article

Withanone binds to mortalin and abrogates mortalin–p53 complex: Computational and experimental evidence

article

List of works by Abhinav Grover

Abrogation of AuroraA-TPX2 by novel natural inhibitors: molecular dynamics-based mechanistic analysis

Ashwagandha derived withanone targets TPX2-Aurora A complex: computational and experimental evidence to its anticancer activity

Blocking protein kinase C signaling pathway: mechanistic insights into the anti-leishmanial activity of prospective herbal drugs from Withania somnifera

Blocking the chaperone kinome pathway: Mechanistic insights into a novel dual inhibition approach for supra-additive suppression of malignant tumors ⬇️

Checking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its Application for Drug Repurposing

Cheminformatics Based Machine Learning Models for AMA1-RON2 Abrogators for Inhibiting Plasmodium falciparum Erythrocyte Invasion

Cheminformatics models based on machine learning approaches for design of USP1/UAF1 abrogators as anticancer agents

Computational Evidence to Inhibition of Human Acetyl Cholinesterase by Withanolide A for Alzheimer Treatment ⬇️

Computational Structure-Based De Novo Design of Hypothetical Inhibitors against the Anti- Inflammatory Target COX-2

Computational identification of novel natural inhibitors of glucagon receptor for checking type II diabetes mellitus

Correlation of compliance to statin therapy with lipid profile and serum HMGCoA reductase levels in dyslipidemic patients

Design, synthesis, cytotoxicity, HuTopoIIα inhibitory activity and molecular docking studies of pyrazole derivatives as potential anticancer agents

Development of dual inhibitors against Alzheimer's disease using fragment-based QSAR and molecular docking

Embelin inhibits TNF-α converting enzyme and cancer cell metastasis: molecular dynamics and experimental evidence

Enhanced withanolide production by overexpression of squalene synthase in Withania somnifera

Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia

Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the α-β interfacial site of human tubulin

Functional analysis of the binding model of microbial inulinases using docking and molecular dynamics simulation

GQSAR modeling and combinatorial library generation of 4-phenylquinazoline-2-carboxamide derivatives as antiproliferative agents in human Glioblastoma tumors

Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53-MDM2.

Hsp90/Cdc37 Chaperone/co-chaperone complex, a novel junction anticancer target elucidated by the mode of action of herbal drug Withaferin A ⬇️

Hsp90: Friends, clients and natural foes.

Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations

In silico study of peptide inhibitors against BACE 1.

Inhibition of the NEMO/IKKβ association complex formation, a novel mechanism associated with the NF-κB activation suppression by Withania somnifera's key metabolite withaferin A.

Integrating network, sequence and functional features using machine learning approaches towards identification of novel Alzheimer genes

Mechanistic analysis elucidating the relationship between Lys96 mutation in Mycobacterium tuberculosis pyrazinamidase enzyme and pyrazinamide susceptibility

Mechanistic insights into mode of action of novel natural cathepsin L inhibitors

Mechanistic insights into mode of actions of novel oligopeptidase B inhibitors for combating leishmaniasis

Mechanistic insights into the dual inhibition strategy for checking Leishmaniasis.

Molecular Characterization and Enhancement of Anticancer Activity of Caffeic Acid Phenethyl Ester by γ Cyclodextrin

Molecular Modeling and Virtual Screening Approach to Discover Potential Antileishmanial Inhibitors Against Ornithine Decarboxylase

Molecular dynamics-based identification of novel natural mortalin-p53 abrogators as anticancer agents

Molecular interactions of Bcl-2 and Bcl-xL with mortalin: identification and functional characterization

Molecular modeling and lead design of substituted zanamivir derivatives as potent anti-influenza drugs

Molecular modeling and molecular dynamics simulations based structural analysis of the SG2NA protein variants

Natural polyphenolic inhibitors against the antiapoptotic BCL-2.

Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin A ⬇️

Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agents

Predicting stable functional peptides from the intergenic space of E. coli

Probing the anticancer mechanism of prospective herbal drug Withaferin A on mammals: a case study on human and bovine proteasomes ⬇️

Resisting resistant Mycobacterium tuberculosis naturally: mechanistic insights into the inhibition of the parasite's sole signal peptidase Leader peptidase B.

Structural Basis For Drug Resistance Mechanisms Against EGFR.

Structural insights into mode of actions of novel natural Mycobacterium protein tyrosine phosphatase B inhibitors

Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships

Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease

Targeting Mortalin by Embelin Causes Activation of Tumor Suppressor p53 and Deactivation of Metastatic Signaling in Human Breast Cancer Cells

Withanone binds to mortalin and abrogates mortalin–p53 complex: Computational and experimental evidence