Lista de obras -

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico publicado en 2014

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

artículo científico publicado en 2014

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

artículo científico publicado en 2015

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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2014

Hsp90: Friends, clients and natural foes.

artículo científico publicado en 2016

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

artículo científico publicado en 2016

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

artículo científico publicado en 2016

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

artículo científico publicado en 2015

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2016

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

artículo científico publicado en 2016

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

artículo científico publicado en 2016

Natural polyphenolic inhibitors against the antiapoptotic BCL-2.

artículo científico publicado en 2017

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

artículo científico publicado en 2016

Structural Basis For Drug Resistance Mechanisms Against EGFR.

artículo científico publicado en 2017

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

Lista de obras de

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

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

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

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

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: 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

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

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

Natural polyphenolic inhibitors against the antiapoptotic BCL-2.

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

Structural Basis For Drug Resistance Mechanisms Against EGFR.

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