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Shedding light on structure, function and regulation of human sirtuins: a comprehensive review
Sharma, Abhishek, Mahur, Pragati, Muthukumaran, Jayaraman, Singh, Amit Kumar, Jain, Monika
Published in 3 Biotech (01.01.2023)
Published in 3 Biotech (01.01.2023)
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Journal Article
In silico screening and molecular dynamics analysis of natural DHPS enzyme inhibitors targeting Acinetobacter baumannii
Bhati, Saurabh Kumar, Anjum, Farah, Shamsi, Anas, Hassan, Md Imtaiyaz, Jain, Monika, Muthukumaran, Jayaraman, Singh, Rashmi Prabha, Singh, Amit Kumar
Published in Scientific reports (05.03.2025)
Published in Scientific reports (05.03.2025)
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Journal Article
Design, synthesis, molecular docking, and biological activity of pyrazolo[3,4-b]pyridines as promising lead candidates against Mycobacterium tuberculosis
Rao, H. Surya Prakash, Gunasundari, R., Adigopula, Lakshmi Narayana, Muthukumaran, Jayaraman
Published in Medicinal chemistry research (01.01.2024)
Published in Medicinal chemistry research (01.01.2024)
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Journal Article
Non-Steroidal Anti-Inflammatory Drug Effect on the Binding of Plasma Protein with Antibiotic Drug Ceftazidime: Spectroscopic and In Silico Investigation
Sajid Ali, Mohd, Singh, Ekampreet, Muthukumaran, Jayaraman, Al-Lohedan, Hamad A.
Published in International journal of molecular sciences (01.10.2023)
Published in International journal of molecular sciences (01.10.2023)
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Journal Article
Shedding Light on the Interaction of Human Anti-Apoptotic Bcl-2 Protein with Ligands through Biophysical and in Silico Studies
Ramos, Joao, Muthukumaran, Jayaraman, Freire, Filipe, Paquete-Ferreira, João, Otrelo-Cardoso, Ana Rita, Svergun, Dmitri, Panjkovich, Alejandro, Santos-Silva, Teresa
Published in International journal of molecular sciences (16.02.2019)
Published in International journal of molecular sciences (16.02.2019)
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Journal Article
Targeting multi-drug-resistant Acinetobacter baumannii: a structure-based approach to identify the promising lead candidates against glutamate racemase
Kumar, Ankit, Singh, Ekampreet, Jha, Rajat Kumar, Khan, Rameez Jabeer, Jain, Monika, Varshney, Sudeep, Muthukumaran, Jayaraman, Singh, Amit Kumar
Published in Journal of molecular modeling (01.06.2023)
Published in Journal of molecular modeling (01.06.2023)
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Journal Article
Exploration of potential hit compounds targeting 1-deoxy-d-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii: an in silico investigation
Zia, Mahrukh Parveez, Jain, Monika, Muthukumaran, Jayaraman, Singh, Amit Kumar
Published in 3 Biotech (01.03.2024)
Published in 3 Biotech (01.03.2024)
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Journal Article
Detailed Experimental and In Silico Investigation of Indomethacin Binding with Human Serum Albumin Considering Primary and Secondary Binding Sites
Ali, Mohd Sajid, Muthukumaran, Jayaraman, Jain, Monika, Tariq, Mohammad, Al-Lohedan, Hamad A., Al-Sanea, Abdullah Saad S.
Published in Molecules (Basel, Switzerland) (27.03.2023)
Published in Molecules (Basel, Switzerland) (27.03.2023)
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Journal Article
Discovery of potential natural therapeutics targeting cell wall biosynthesis in multidrug-resistant Enterococcus faecalis: a computational perspective
Km.Rakhi, Jain, Monika, Singh, Amit Kumar, Ali, Mohd Sajid, Al-Lohedan, Hamad A., Muthukumaran, Jayaraman
Published in Biology direct (05.11.2024)
Published in Biology direct (05.11.2024)
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Journal Article
Discovery of natural dual inhibitors from ZINC database targeting thymic stromal lymphopoietin (TSLP) and interleukin-33 (IL-33) as potential anti-allergy agents
Adamu, Rahma Muhammad, Ibrahim, Mohammed Auwal, Uba, Abdullahi Ibrahim, Fadare, Olatomide A., Muthukumaran, Jayaraman
Published in Chemical papers (01.06.2024)
Published in Chemical papers (01.06.2024)
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Journal Article
Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis
Jha, Rajat Kumar, Khan, Rameez Jabeer, Amera, Gizachew Muluneh, Singh, Ekampreet, Pathak, Amita, Jain, Monika, Muthukumaran, Jayaraman, Singh, Amit Kumar
Published in Journal of molecular modeling (01.11.2020)
Published in Journal of molecular modeling (01.11.2020)
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Journal Article
A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods
Singh, Ekampreet, Khan, Rameez Jabeer, Jha, Rajat Kumar, Amera, Gizachew Muluneh, Jain, Monika, Singh, Rashmi Prabha, Muthukumaran, Jayaraman, Singh, Amit Kumar
Published in Journal of Genetic Engineering and Biotechnology (03.11.2020)
Published in Journal of Genetic Engineering and Biotechnology (03.11.2020)
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Journal Article
Interaction of the lysozyme with anticoagulant drug warfarin: Spectroscopic and computational analyses
Ali, Mohd Sajid, Al-Lohedan, Hamad A., Bhati, Rittik, Muthukumaran, Jayaraman
Published in Heliyon (30.05.2024)
Published in Heliyon (30.05.2024)
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Journal Article
Insights into the structural and functional analysis of impact of the missense mutations on α-synuclein: an in silico study
Sharma, Abhishek, Mahur, Pragati, Singh, Amit Kumar, Muthukumaran, Jayaraman, Jain, Monika
Published in Egyptian Journal of Medical Human Genetics (14.05.2024)
Published in Egyptian Journal of Medical Human Genetics (14.05.2024)
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Journal Article