List of works - Dharmendra K. Yadav

4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1.

scientific article published on 14 May 2014

4-Hydroxy-α-tetralone and its derivative as drug resistance reversal agents in multi drug resistant Escherichia coli.

scientific article

Anti-cancer effect of GV1001 for prostate cancer; function as a ligand of GnRHR

scientific article published on 01 February 2019

Atomic-scale modeling of the effect of lipid peroxidation on the permeability of reactive species

scientific article published on 05 March 2020

Bioactive Phytoconstituents as Potent Inhibitors of Tyrosine-Protein Kinase Yes (YES1): Implications in Anticancer Therapeutics

scientific article published on 10 May 2022

Cold atmospheric plasma generated reactive species aided inhibitory effects on human melanoma cells: an in vitro and in silico study

scientific article published on 25 February 2020

Comparative Drug Resistance Reversal Potential of Natural Glycosides: Potential of Synergy Niaziridin & Niazirin

scientific article published on 01 January 2019

Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study

scientific article published on 15 April 2020

Design, synthesis and in vitro evaluation of 18β-glycyrrhetinic acid derivatives for anticancer activity against human breast cancer cell line MCF-7.

scientific article published on January 2014

Development of QSAR model for immunomodulatory activity of natural coumarinolignoids.

scientific article

Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure-Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies

scientific article published on 08 August 2018

Discovery of C-3 Tethered 2-oxo-benzo[1,4]oxazines as Potent Antioxidants: Bio-Inspired Based Design, Synthesis, Biological Evaluation, Cytotoxic, and in Silico Molecular Docking Studies.

scientific article published on 23 March 2018

Drug Resistance Reversal Potential of Ursolic Acid Derivatives against Nalidixic Acid- and Multidrug-resistant Escherichia coli

scientific article

Electric-field-induced electroporation and permeation of reactive oxygen species across a skin membrane

scientific article published on 02 March 2020

Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and <i>In Silico</i> Approaches: Implications of a Potent Alzheimer's Drug

scientific article published on 02 March 2022

Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

scientific article published in Scientific Reports

In silico exploration of anti-inflammatory activity of natural coumarinolignoids.

scientific article published on 29 August 2011

In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitor

scientific article published on 25 January 2020

Inactivation of Infectious Bacteria Using Nonthermal Biocompatible Plasma Cabinet Sterilizer

scientific article published on 06 November 2020

Induced apoptosis in melanocytes cancer cell and oxidation in biomolecules through deuterium oxide generated from atmospheric pressure non-thermal plasma jet.

scientific article

Influence of reactive species on the modification of biomolecules generated from the soft plasma.

scientific article

Insight Into the Molecular Dynamic Simulation Studies of Reactive Oxygen Species in Native Skin Membrane

scientific article published on 27 June 2018

Insight from Molecular dynamic simulation of reactive oxygen species in oxidized skin membrane

scientific article published in Scientific Reports

Investigating host-virus interaction mechanism and phylogenetic analysis of viral proteins involved in the pathogenesis

scientific article published on 16 December 2021

Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach

scientific article published on 22 October 2021

Ligand-based pharmacophore modeling and docking studies on vitamin D receptor inhibitors

scientific article published on 06 January 2020

Microwave-assisted One-pot Efficient Synthesis of Functionalized 2-Oxo-2-phenylethylidenes-linked 2-Oxobenzo[1,4]oxazines and 2-Oxoquino[1,4]oxalines: Synthetic Applications, Antioxidant Activity, SAR and Cytotoxic Studies.

scientific article published in December 2017

Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study.

scientific article published on 19 March 2018

Molecular docking and ADME studies of natural compounds of Agarwood oil for topical anti-inflammatory activity.

scientific article published in September 2013

Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer

scientific article published on 22 June 2017

Molecular dynamic simulations of oxidized skin lipid bilayer and permeability of reactive oxygen species

scientific article published on 14 March 2019

Molecular modeling based semi-synthesis and in vitro evaluation of anticancer activity in indolyl chalcones

scientific article

Molecular modeling based synthesis and evaluation of in vitro anticancer activity of indolyl chalcones.

scientific article

New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage.

scientific article published on 06 December 2016

Non-peptide-based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and in silico studies

scientific article published on 9 March 2018

Novel Gomisin B analogues as potential cytotoxic agents: Design, synthesis, biological evaluation and docking studies

scientific article published in August 2017

Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence

scientific article published on 2 October 2017

Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity ⬇️

scientific article published on October 27, 2011

Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity.

scientific article published on 21 January 2012

QSAR and docking based semi-synthesis and in vitro evaluation of 18 β-glycyrrhetinic acid derivatives against human lung cancer cell line A-549.

scientific article published on December 2013

QSAR and docking based semi-synthesis and in vivo evaluation of artemisinin derivatives for antimalarial activity

scientific article

QSAR guided semi-synthesis and in-vitro validation of anticancer activity in ursolic acid derivatives.

scientific article published on January 2014

QSAR, docking and ADMET studies of artemisinin derivatives for antimalarial activity targeting plasmepsin II, a hemoglobin-degrading enzyme from P. falciparum

scientific article published in January 2012

QSAR, docking and in vivo studies for immunomodulatory activity of isolated triterpenoids from Eucalyptus tereticornis and Gentiana kurroo.

scientific article

Recent Developments in Natural Product Inspired Synthetic 1,2,4- Trioxolanes (Ozonides): An Unusual Entry into Antimalarial Chemotherapy

scientific article published on 01 January 2019

Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking.

scientific article published on 18 August 2017

Synergy of clavine alkaloid 'chanoclavine' with tetracycline against multi-drug-resistant E. coli.

scientific article

Synthesis of 2-alkoxy and 2-benzyloxy analogues of estradiol as anti-breast cancer agents through microtubule stabilization

scientific article published on 10 September 2014

Synthesis of neolignans as microtubule stabilisers.

scientific article published on 9 January 2014

Synthesis, Bioevaluation, Structure-Activity Relationship and Docking Studies of Natural Product Inspired (Z)-3-benzylideneisobenzofuran-1(3H)-ones as Highly Potent antioxidants and Antiplatelet agents

scientific article published on 11 February 2020

Synthesis, biological evaluation and molecular docking study of 1-amino-2-aroylnaphthalenes against prostate cancer.

scientific article published on 22 March 2018

The JAK2 inhibitors CEP-33779 and NVP-BSK805 have high P-gp inhibitory activity and sensitize drug-resistant cancer cells to vincristine.

scientific article published on 29 June 2017

The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix

scientific article published on 23 March 2017

List of works by Dharmendra K. Yadav

4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1.

4-Hydroxy-α-tetralone and its derivative as drug resistance reversal agents in multi drug resistant Escherichia coli.

Anti-cancer effect of GV1001 for prostate cancer; function as a ligand of GnRHR

Atomic-scale modeling of the effect of lipid peroxidation on the permeability of reactive species

Bioactive Phytoconstituents as Potent Inhibitors of Tyrosine-Protein Kinase Yes (YES1): Implications in Anticancer Therapeutics

Cold atmospheric plasma generated reactive species aided inhibitory effects on human melanoma cells: an in vitro and in silico study

Comparative Drug Resistance Reversal Potential of Natural Glycosides: Potential of Synergy Niaziridin & Niazirin

Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study

Design, synthesis and in vitro evaluation of 18β-glycyrrhetinic acid derivatives for anticancer activity against human breast cancer cell line MCF-7.

Development of QSAR model for immunomodulatory activity of natural coumarinolignoids.

Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure-Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies

Discovery of C-3 Tethered 2-oxo-benzo[1,4]oxazines as Potent Antioxidants: Bio-Inspired Based Design, Synthesis, Biological Evaluation, Cytotoxic, and in Silico Molecular Docking Studies.

Drug Resistance Reversal Potential of Ursolic Acid Derivatives against Nalidixic Acid- and Multidrug-resistant Escherichia coli

Electric-field-induced electroporation and permeation of reactive oxygen species across a skin membrane

Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and <i>In Silico</i> Approaches: Implications of a Potent Alzheimer's Drug

Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

In silico exploration of anti-inflammatory activity of natural coumarinolignoids.

In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitor

Inactivation of Infectious Bacteria Using Nonthermal Biocompatible Plasma Cabinet Sterilizer

Induced apoptosis in melanocytes cancer cell and oxidation in biomolecules through deuterium oxide generated from atmospheric pressure non-thermal plasma jet.

Influence of reactive species on the modification of biomolecules generated from the soft plasma.

Insight Into the Molecular Dynamic Simulation Studies of Reactive Oxygen Species in Native Skin Membrane

Insight from Molecular dynamic simulation of reactive oxygen species in oxidized skin membrane

Investigating host-virus interaction mechanism and phylogenetic analysis of viral proteins involved in the pathogenesis

Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach

Ligand-based pharmacophore modeling and docking studies on vitamin D receptor inhibitors

Microwave-assisted One-pot Efficient Synthesis of Functionalized 2-Oxo-2-phenylethylidenes-linked 2-Oxobenzo[1,4]oxazines and 2-Oxoquino[1,4]oxalines: Synthetic Applications, Antioxidant Activity, SAR and Cytotoxic Studies.

Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study.

Molecular docking and ADME studies of natural compounds of Agarwood oil for topical anti-inflammatory activity.

Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer

Molecular dynamic simulations of oxidized skin lipid bilayer and permeability of reactive oxygen species

Molecular modeling based semi-synthesis and in vitro evaluation of anticancer activity in indolyl chalcones

Molecular modeling based synthesis and evaluation of in vitro anticancer activity of indolyl chalcones.

New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage.

Non-peptide-based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and in silico studies

Novel Gomisin B analogues as potential cytotoxic agents: Design, synthesis, biological evaluation and docking studies

Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence

Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity ⬇️

Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity.

QSAR and docking based semi-synthesis and in vitro evaluation of 18 β-glycyrrhetinic acid derivatives against human lung cancer cell line A-549.

QSAR and docking based semi-synthesis and in vivo evaluation of artemisinin derivatives for antimalarial activity

QSAR guided semi-synthesis and in-vitro validation of anticancer activity in ursolic acid derivatives.

QSAR, docking and ADMET studies of artemisinin derivatives for antimalarial activity targeting plasmepsin II, a hemoglobin-degrading enzyme from P. falciparum

QSAR, docking and in vivo studies for immunomodulatory activity of isolated triterpenoids from Eucalyptus tereticornis and Gentiana kurroo.

Recent Developments in Natural Product Inspired Synthetic 1,2,4- Trioxolanes (Ozonides): An Unusual Entry into Antimalarial Chemotherapy

Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking.

Synergy of clavine alkaloid 'chanoclavine' with tetracycline against multi-drug-resistant E. coli.

Synthesis of 2-alkoxy and 2-benzyloxy analogues of estradiol as anti-breast cancer agents through microtubule stabilization

Synthesis of neolignans as microtubule stabilisers.

Synthesis, Bioevaluation, Structure-Activity Relationship and Docking Studies of Natural Product Inspired (Z)-3-benzylideneisobenzofuran-1(3H)-ones as Highly Potent antioxidants and Antiplatelet agents

Synthesis, biological evaluation and molecular docking study of 1-amino-2-aroylnaphthalenes against prostate cancer.

The JAK2 inhibitors CEP-33779 and NVP-BSK805 have high P-gp inhibitory activity and sensitize drug-resistant cancer cells to vincristine.

The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix