Novel Derivatives of Eugenol as a New Class of PPARγ Agonists in Treating Inflammation: Design, Synthesis, SAR Analysis and In Vitro Anti-Inflammatory Activity
Anjum, Noor Fathima, Shanmugarajan, Dhivya, Prashantha Kumar, B R, Faizan, Syed, Durai, Priya, Raju, Ruby Mariam, Javid, Saleem, Purohit, Madhusudan N
Published in Molecules (Basel, Switzerland) (05.05.2023)
Published in Molecules (Basel, Switzerland) (05.05.2023)
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Journal Article
Virtual Screening for Identification of Dual Inhibitors against CDK4/6 and Aromatase Enzyme
Adon, Tenzin, Shanmugarajan, Dhivya, Ather, Hissana, Ansari, Shaik Mohammad Asif, Hani, Umme, Madhunapantula, SubbaRao V, Honnavalli, Yogish Kumar
Published in Molecules (Basel, Switzerland) (01.03.2023)
Published in Molecules (Basel, Switzerland) (01.03.2023)
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Journal Article
Discovery of Novel Myristic Acid Derivatives as N-Myristoyltransferase Inhibitors: Design, Synthesis, Analysis, Computational Studies and Antifungal Activity
Javid, Saleem, Ather, Hissana, Hani, Umme, Siddiqua, Ayesha, Asif Ansari, Shaik Mohammad, Shanmugarajan, Dhivya, Yogish Kumar, Honnavalli, Arivuselvam, Rajaguru, Purohit, Madhusudan N, Kumar, B R Prashantha
Published in Antibiotics (Basel) (01.07.2023)
Published in Antibiotics (Basel) (01.07.2023)
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Journal Article
Gas chromatography-mass spectrometry metabolic profiling, molecular simulation and dynamics of diverse phytochemicals of Punica granatum L. leaves against estrogen receptor
Usha, Talambedu, Middha, Sushil Kumar, Shanmugarajan, Dhivya, Babu, Dinesh, Goyal, Arvind Kumar, Yusufoglu, Hasan Soliman, Sidhalinghamurthy, Kora Rudraiah
Published in Frontiers in bioscience (Landmark. Print) (30.07.2021)
Published in Frontiers in bioscience (Landmark. Print) (30.07.2021)
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Journal Article
Molecular Dynamics and Biological Evaluation of 2-chloro-7-cyclopentyl- 7H-pyrrolo[2,3-d]pyrimidine Derivatives Against Breast Cancer
Singaram, Kulathooran, Marimuthu, Dhamodaran, Baskaran, Selvakumar, Chinaga, Suresh K, Shanmugarajan, Dhivya, Vadivel, Thangavel
Published in Combinatorial chemistry & high throughput screening (01.09.2017)
Published in Combinatorial chemistry & high throughput screening (01.09.2017)
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Journal Article
Estrogen receptor potentially stable conformations from molecular dynamics as a structure-based pharmacophore model for mapping, screening, and identifying ligands-a new paradigm shift in pharmacophore screening
Shanmugarajan, Dhivya, David, Charles
Published in Journal of biomolecular structure & dynamics (24.07.2023)
Published in Journal of biomolecular structure & dynamics (24.07.2023)
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Journal Article
CDK4/6 inhibitors: a brief overview and prospective research directions
Adon, Tenzin, Shanmugarajan, Dhivya, Kumar, Honnavalli Yogish
Published in RSC advances (01.09.2021)
Published in RSC advances (01.09.2021)
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Journal Article
Needleless electrospun phytochemicals encapsulated nanofibre based 3-ply biodegradable mask for combating COVID-19 pandemic
Patil, Nikhil Avinash, Gore, Prakash Macchindra, Jaya Prakash, Niranjana, Govindaraj, Premika, Yadav, Ramdayal, Verma, Vivek, Shanmugarajan, Dhivya, Patil, Shivanand, Kore, Abhay, Kandasubramanian, Balasubramanian
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.07.2021)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.07.2021)
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Journal Article
Mapping of FSHR agonists and antagonists binding sites to identify potential peptidomimetic modulators
Aathi, Muthu Sankar, Kumar, Chandan, Prabhudesai, Kaushiki S., Shanmugarajan, Dhivya, Idicula-Thomas, Susan
Published in Biochimica et biophysica acta. Biomembranes (01.04.2022)
Published in Biochimica et biophysica acta. Biomembranes (01.04.2022)
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Journal Article
Dynamacophore model for breast cancer estrogen receptor alpha as an effective lead generation screening technique
Shanmugarajan, Dhivya, Biju, Anagha, Sibi, Dona, Sibi, Rona, Shaji, Maria, David, Charles
Published in Journal of biomolecular structure & dynamics (29.12.2023)
Published in Journal of biomolecular structure & dynamics (29.12.2023)
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Journal Article
Novel PPAR-γ agonists as potential neuroprotective agents against Alzheimer's disease: rational design, synthesis , in silico evaluation, PPAR-γ binding assay and transactivation and expression studies
D, Priya, Hani, Umme, Haider, Nazima, Talath, Sirajunisa, Shanmugarajan, Dhivya, P, Prabitha, P, Archana, Prashantha Kumar, B R
Published in RSC advances (17.10.2024)
Published in RSC advances (17.10.2024)
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Journal Article
In silico pharmacokinetics, molecular docking and dynamic simulation studies of endolichenic fungi secondary metabolites: An implication in identifying novel kinase inhibitors as potential anticancer agents
Padhi, Srichandan, Masi, Marco, Mohanta, Yugal Kishore, Saravanan, Muthupandian, Sharma, Swati, Cimmino, Alessio, Shanmugarajan, Dhivya, Evidente, Antonio, Tayung, Kumananda, Rai, Amit Kumar
Published in Journal of molecular structure (05.02.2023)
Published in Journal of molecular structure (05.02.2023)
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Journal Article
Rational design, synthesis, analysis and antifungal activity of novel myristic acid derivatives as N-myristoyltransferase inhibitors
Javid, Saleem, Shanmugarajan, Dhivya, Kumar, H. Yogish, Arivuselvam, Rajaguru, Anjum, Noor Fathima, Purohit, Madhusudan N, Susil, Aishwarya, Harindranath, Haritha, Nilugal, Kiran C., Nagojappa, Narendra Babu Shivanagere, Kumar, B.R. Prashantha
Published in Journal of molecular structure (05.05.2024)
Published in Journal of molecular structure (05.05.2024)
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Journal Article
Multi-conformational frame from molecular dynamics as a structure-based pharmacophore model for mapping, screening and identifying ligands against PPAR-γ: a new protocol to develop promising candidates
Prabitha, P., Shanmugarajan, Dhivya, Kumar, T. Durai Ananda, Kumar, B. R. Prashantha
Published in Journal of biomolecular structure & dynamics (13.04.2022)
Published in Journal of biomolecular structure & dynamics (13.04.2022)
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Journal Article
Novel derivatives of eugenol as potent anti-inflammatory agents via PPARγ agonism: rational design, synthesis, analysis, PPARγ protein binding assay and computational studies
Anjum, Noor Fathima, Shanmugarajan, Dhivya, Shivaraju, Vasanth Kumar, Faizan, Syed, Naishima, Namburu Lalitha, Prashantha Kumar, B. R., Javid, Saleem, Purohit, Madhusudan N.
Published in RSC advances (01.06.2022)
Published in RSC advances (01.06.2022)
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Journal Article
A promising in silico protocol to develop novel PPARγ antagonists as potential anticancer agents: Design, synthesis and experimental validation via PPARγ protein activity and competitive binding assay
Sivamani, Yuvaraj, Shanmugarajan, Dhivya, Durai Ananda Kumar, T., Faizan, Syed, Channappa, Bhavya, Naishima, Namburu Lalitha, Prashantha Kumar, B.R.
Published in Computational biology and chemistry (01.12.2021)
Published in Computational biology and chemistry (01.12.2021)
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Journal Article
A study of comparative modelling, simulation and molecular dynamics of CXCR3 receptor with lipid bilayer
Dhivya, Shanmugarajan, Suresh Kumar, Chinaga, Bommuraj, Vijayakumar, Janarthanam, Rethavathi, Chandran, Meena, Usha, Talambedu, Middha, Sushil Kumar
Published in Journal of biomolecular structure & dynamics (04.07.2018)
Published in Journal of biomolecular structure & dynamics (04.07.2018)
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Journal Article