Shovanlal Gayen (S Gayen)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 21

Top Topics

Molecular Docking

Machine Learning

Histone Deacetylase

Top Venues

Journal of biomolecular structure & dynamics

SAR and QSAR in environmental research

Beilstein journal of nanotechnology

Mini reviews in medicinal chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Tarun Jha, R Jana, Suvankar Banerjee, S K Baidya, Sk Abdul Amin, Shovanlal Gayen, Balaram Ghosh, Nilanjan Adhikari
Exploring different classification-dependent QSAR modelling strategies for HDAC3 inhibitors in search of meaningful structural contributors. SAR and QSAR in environmental research 35 (5) (2024)
Indrasis Dasgupta, Totan Das, Biplab Das, Shovanlal Gayen
Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification. Beilstein journal of nanotechnology 15 (2024)
Indrasis Dasgupta, Totan Das, Biplab Das, Shovanlal Gayen
Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification. Beilstein journal of nanotechnology 15 (2024)
Tarun Jha, R Jana, Suvankar Banerjee, S K Baidya, Sk Abdul Amin, Shovanlal Gayen, Balaram Ghosh, Nilanjan Adhikari
Exploring different classification-dependent QSAR modelling strategies for HDAC3 inhibitors in search of meaningful structural contributors. SAR and QSAR in environmental research 35 (5) (2024)
Tarun Jha, R Jana, Suvankar Banerjee, S K Baidya, Sk Abdul Amin, Shovanlal Gayen, Balaram Ghosh, Nilanjan Adhikari
Exploring different classification-dependent QSAR modelling strategies for HDAC3 inhibitors in search of meaningful structural contributors. SAR and QSAR in environmental research (2024)
Totan Das, Samima Khatun, Tarun Jha, Shovanlal Gayen
HDAC9 as a Privileged Target: Reviewing its Role in Different Diseases and Structure-activity Relationships (SARs) of its Inhibitors. Mini reviews in medicinal chemistry (2023)
Sourav Sardar, null Jyotisha, Sk Abdul Amin, Samima Khatun, Insaf Ahmed Qureshi, Umesh Kumar Patil, Tarun Jha, Shovanlal Gayen
Identification of structural fingerprints among natural inhibitors of HDAC1 to accelerate nature-inspired drug discovery in cancer epigenetics. Journal of biomolecular structure & dynamics 42 (11) (2023)
Manisha Malani, Manthan S Hiremath, Surbhi Sharma, Manisha Jhunjhunwala, Shovanlal Gayen, Chittaranjan Hota, Jayabalan Nirmal
Interaction of systemic drugs causing ocular toxicity with organic cation transporter: an artificial intelligence prediction. Journal of biomolecular structure & dynamics (2023)
Sourav Sardar, null Jyotisha, Sk Abdul Amin, Samima Khatun, Insaf Ahmed Qureshi, Umesh Kumar Patil, Tarun Jha, Shovanlal Gayen
Identification of structural fingerprints among natural inhibitors of HDAC1 to accelerate nature-inspired drug discovery in cancer epigenetics. Journal of biomolecular structure & dynamics 42 (11) (2023)
S Das, Sk Abdul Amin, Shovanlal Gayen, Tarun Jha
Insight into the structural requirements of gelatinases (MMP-2 and MMP-9) inhibitors by multiple validated molecular modelling approaches: Part II. SAR and QSAR in environmental research 33 (3) (2022)
Sk Abdul Amin, Sudipta Nandi, Sushil Kumar Kashaw, Tarun Jha, Shovanlal Gayen
A critical analysis of urea transporter B inhibitors: molecular fingerprints, pharmacophore features for the development of next-generation diuretics. Molecular diversity 26 (5) (2022)
S Nandi, Prabhat Kumar, Sk Abdul Amin, Tarun Jha, Shovanlal Gayen
First molecular modelling report on tri-substituted pyrazolines as phosphodiesterase 5 (PDE5) inhibitors through classical and machine learning based multi-QSAR analysis. SAR and QSAR in environmental research 32 (11) (2021)
Dipayan Mondal, Kalyan Ghosh, Anurag T K Baidya, Anindita Mondal Gantait, Shovanlal Gayen
Identification of structural fingerprints for in vivo toxicity by using Monte Carlo based QSTR modeling of nitroaromatics. Toxicology mechanisms and methods 30 (4) (2020)
Sk Abdul Amin, Kalyan Ghosh, Shovanlal Gayen, Tarun Jha
Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors. Journal of biomolecular structure & dynamics 39 (13) (2020)
K Ghosh, B Bhardwaj, Sk Abdul Amin, Tarun Jha, Shovanlal Gayen
Identification of structural fingerprints for ABCG2 inhibition by using Monte Carlo optimization, Bayesian classification, and structural and physicochemical interpretation (SPCI) analysis. SAR and QSAR in environmental research 31 (6) (2020)
Manasi Ghosh, Shovanlal Gayen, Krishna Kishor Dey
An atomic resolution description of folic acid using solid state NMR measurements. RSC advances 10 (42) (2020)
Sk Abdul Amin, Nilanjan Adhikari, Shovanlal Gayen, Tarun Jha
Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques. Journal of biomolecular structure & dynamics 37 (17) (2019)
Sanskar Jain, Bhagwati Bhardwaj, Sk Abdul Amin, Nilanjan Adhikari, Tarun Jha, Shovanlal Gayen
Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling. Journal of biomolecular structure & dynamics 38 (6) (2019)
B Bhardwaj, A T K Baidya, Sk Abdul Amin, Nilanjan Adhikari, Tarun Jha, Shovanlal Gayen
Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer. SAR and QSAR in environmental research 30 (7) (2019)
Sanskar Jain, Sk Abdul Amin, Nilanjan Adhikari, Tarun Jha, Shovanlal Gayen
Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition: identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR study. Journal of biomolecular structure & dynamics 38 (1) (2019)
Sk Abdul Amin, Nilanjan Adhikari, Sandip Kumar Baidya, Shovanlal Gayen, Tarun Jha
Structural refinement and prediction of potential CCR2 antagonists through validated multi-QSAR modeling studies. Journal of biomolecular structure & dynamics 37 (1) (2018)