Sandeep Chaudhary

Prof. Dr. Sandeep Chaudhary

National Institute of Pharmaceutical Education and Research, Raebareli, India
orcid

Research Focus & Metrics

Academic Career Length

21Years (2006-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
14 March 2019 in Scientific Reports
Verified
Journal Article
Open access
PDF file
Dharmendra Kumar YadavDharmendra Kumar Yadav
Dharmendra Kumar Yadav
SKSurendra Kumar
Surendra Kumar
Eun Ha ChoiEun Ha Choi
Eun Ha Choi
SCSandeep Chaudhary
Sandeep Chaudhary
MKMi-hyun Kim
Mi-hyun Kim
Lipid peroxidation by reactive oxygen species (ROS) during oxidative stress is non-enzymatic damage that affects the integrity of biological membrane, and alters the fluidity and permeability. We conducted molecular dynamic simulation studies to evaluate the structural properties of the bilayer after lipid peroxidation and to measure the permeability of distinct ROS. The oxidized membrane contains free fatty acid, ceramide, cholesterol, and 5α-hydroperoxycholesterol (5α-CH). The result of unconstrained molecular dynamic simulations revealed that lipid peroxidation causes area-per-lipid of the bilayer to increase and bilayer thickness to decrease. The simulations also revealed that the oxidized group of 5α-CH (-OOH) moves towards the aqueous layer and its backbone tilts causing lateral expansion of the bilayer membrane. These changes are detrimental to structural and functional properties of the membrane. The measured free energy profile for different ROS (H2O2, HO2, HO, and O2) across the peroxidized lipid bilayer showed that the increase in lipid peroxidation resulted in breaching barrier decrease for all species, allowing easy traversal of the membrane. Thus, lipid peroxidation perturbs the membrane barrier and imposes oxidative stress resulting into apoptosis. The collective insights increase the understanding of oxidation stress at the atomic level.

19 March 2018 in Scientific Reports
Verified
Journal Article
Open access
PDF file
Dharmendra Kumar YadavDharmendra Kumar Yadav
Dharmendra Kumar Yadav
SKSurendra Kumar
Surendra Kumar
SASaloni
Saloni
SMSanjeev Misra
Sanjeev Misra
LYLalit Yadav
Lalit Yadav
MKMi-hyun Kim
Mi-hyun Kim
SIRT6 and COX-2 are oncogenes target that promote the expression of proinflammatory and pro-survival proteins through a signaling pathway, which leads to increased survival and proliferation of tumor cells. However, COX-2 also suppresses skin tumorigenesis and their relationship with SIRT6, making it an interesting target for the discovery of drugs with anti-inflammatory and anti-cancer properties. Herein, we studied the interaction of thieno[3,2-c]pyran analogs and RONS species with SIRT6 and COX-2 through the use of molecular docking and molecular dynamic simulations. Molecular docking studies revealed the importance of hydrophobic and hydrophilic amino acid residues for the stability. The molecular dynamics study examined conformational changes in the enzymes caused by the binding of the substrates and how those changes affected the stability of the protein-drug complex. The average RMSD values of the backbone atoms in compounds 6 and 10 were calculated from 1000 ps to 10000 ps and were found to be 0.13 nm for both compounds. Similarly, the radius of gyration values for compounds 6 and 10 were found to be 1.87 ± 0.03 nm and 1.86 ± 0.02 nm, respectively. The work presented here, will be of great help in lead identification and optimization for early drug discovery.


2 October 2015 in Organic Letters
Verified
Journal Article
Closed access
SCSandeep Chaudhary
Sandeep Chaudhary
VSVashundhra Sharma
Vashundhra Sharma
PJPradeep K. Jaiswal
Pradeep K. Jaiswal
AGAnil N. Gaikwad
Anil N. Gaikwad
SSSudhir K. Sinha
Sudhir K. Sinha
VCVinita Chaturvedi
Vinita Chaturvedi

21 February 2013 in Chemistry – A European Journal
Verified
Journal Article
Closed access
PDF file
YKYuji Kawato
Yuji Kawato
SCSandeep Chaudhary
Sandeep Chaudhary
NKNaoya Kumagai
Naoya Kumagai
MSMasakatsu Shibasaki
Masakatsu Shibasaki

15 May 2020 in Industrial & Engineering Chemistry Research
Verified
Journal Article
Closed access
EREkta Roy
Ekta Roy
ANAchala Nagar
Achala Nagar
SCSandeep Chaudhary
Sandeep Chaudhary
SPSouvik Pal
Souvik Pal