Jayaraman Muthukumaran

Affiliations

UCIBIO, Departamento de Química, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal.

Publications (34)

Biofilm development and computational screening for new putative inhibitors of a homolog of the regulatory protein BrpA in Streptococcus dysgalactiae subsp. dysgalactiae.

International journal of medical microbiology : IJMM

Avec: Cinthia Alves-Barroco , Catarina Roma-Rodrigues , Natesan Balasubramanian , Marcia Aparecida Guimarães , Bernadete T Ferreira-Carvalho , Jayaraman Muthukumaran , Daniela Nunes , Elvira Fortunato , Rodrigo Martins , Teresa Santos-Silva , Agnes M S Figueiredo , Alexandra R Fernandes , Ilda Santos-Sanches

Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2'-O-ribose methyltransferase.

Journal of biomolecular structure & dynamics

Avec: Rameez Jabeer Khan , Rajat Kumar Jha , Gizachew Muluneh Amera , Monika Jain , Ekampreet Singh , Amita Pathak , Rashmi Prabha Singh , Jayaraman Muthukumaran , Amit Kumar Singh

Crystal structure analysis of ethyl 3-(4-chloro-phen-yl)-1,6-dimethyl-4-methyl-sulfanyl-1

Acta crystallographica. Section E, Crystallographic communications

Avec: H Surya Prakash Rao , Ramalingam Gunasundari , Jayaraman Muthukumaran

Crystal structure analysis of ethyl 6-(4-meth-oxy-phen-yl)-1-methyl-4-methyl-sulfanyl-3-phenyl-1

Acta crystallographica. Section E, Crystallographic communications

Avec: H Surya Prakash Rao , Ramalingam Gunasundari , Jayaraman Muthukumaran

Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CL

Journal of biomolecular structure & dynamics

Avec: Rajat Kumar Jha , Rameez Jabeer Khan , A Parthiban , Ekampreet Singh , Monika Jain , Gizachew Muluneh Amera , Rashmi Prabha Singh , Purvaja Ramachandran , Ramesh Ramachandran , V Sachithanandam , Jayaraman Muthukumaran , Amit Kumar Singh

Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis.

Journal of molecular modeling

Avec: Rajat Kumar Jha , Rameez Jabeer Khan , Gizachew Muluneh Amera , Ekampreet Singh , Amita Pathak , Monika Jain , Jayaraman Muthukumaran , Amit Kumar Singh

A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods.

Journal, genetic engineering & biotechnology

Avec: Ekampreet Singh , Rameez Jabeer Khan , Rajat Kumar Jha , Gizachew Muluneh Amera , Monika Jain , Rashmi Prabha Singh , Jayaraman Muthukumaran , Amit Kumar Singh

A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2.

Computational biology and chemistry

Avec: Ekampreet Singh , Rajat Kumar Jha , Rameez Jabeer Khan , Ankit Kumar , Monika Jain , Jayaraman Muthukumaran , Amit Kumar Singh

Ethyl 10-cyano-7-hy-droxy-6-oxo-3-phenyl-8,9,10,10a-tetra-hydro-6

IUCrData

Avec: H Surya Prakash Rao , Prabakaran M , Jayaraman Muthukumaran

Structural and functional characterization of 1-deoxy-D-xylulose-5-phosphate synthase (DXS) from

Journal of biomolecular structure & dynamics

Avec: Mahrukh Parveez Zia , Ekampreet Singh , Monika Jain , Jayaraman Muthukumaran , Amit Kumar Singh

Detailed Experimental and In Silico Investigation of Indomethacin Binding with Human Serum Albumin Considering Primary and Secondary Binding Sites.

Molecules (Basel, Switzerland)

Avec: Mohd Sajid Ali , Jayaraman Muthukumaran , Monika Jain , Mohammad Tariq , Hamad A Al-Lohedan , Abdullah Saad S Al-Sanea

Identification and prioritization of potential therapeutic molecules against LpxA from

Current research in structural biology

Avec: Rameez Jabeer Khan , Ekampreet Singh , Rajat Kumar Jha , Ankit Kumar , Saurabh Kumar Bhati , Mahrukh Parveez Zia , Monika Jain , Rashmi Prabha Singh , Jayaraman Muthukumaran , Amit Kumar Singh

Screening of promising molecules against MurG as drug target in multi-drug-resistant-

Journal of biomolecular structure & dynamics

Avec: Gizachew Muluneh Amera , Rameez Jabeer Khan , Amita Pathak , Rajat Kumar Jha , Jayaraman Muthukumaran , Amit Kumar Singh

Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug resistant Acinetobacter baumannii.

Journal of molecular graphics & modelling

Avec: Gizachew Muluneh Amera , Rameez Jabeer Khan , Amita Pathak , Rajat Kumar Jha , Monika Jain , Jayaraman Muthukumaran , Amit Kumar Singh

Comparative structural and functional analysis of STL and SLL, chitin-binding lectins from

Journal of biomolecular structure & dynamics

Avec: Monika Jain , Jayaraman Muthukumaran , Amit Kumar Singh

Experimental and computational investigation on the binding of anticancer drug gemcitabine with bovine serum albumin.

Journal of biomolecular structure & dynamics

Avec: Mohd Sajid Ali , Jayaraman Muthukumaran , Monika Jain , Hamad A Al-Lohedan , M Abul Farah , Osama Ibrahim Alsowilem

Isolation, characterisation, anticancer and anti-oxidant activities of 2-methoxy mucic acid from

Journal of biomolecular structure & dynamics

Avec: A Parthiban , V Sachithanandam , P Lalitha , Jayaraman Muthukumaran , Ranjita Misra , Monika Jain , R Sridhar , T Mageswaran , Ramachandran Purvaja , Ramachandran Ramesh

Exploration of potential hit compounds targeting 1-deoxy-d-xylulose 5-phosphate reductoisomerase (IspC) from

3 Biotech

Avec: Mahrukh Parveez Zia , Monika Jain , Jayaraman Muthukumaran , Amit Kumar Singh

Shedding light on structure, function and regulation of human sirtuins: a comprehensive review.

3 Biotech

Avec: Abhishek Sharma , Pragati Mahur , Jayaraman Muthukumaran , Amit Kumar Singh , Monika Jain

Targeting multi-drug-resistant Acinetobacter baumannii: a structure-based approach to identify the promising lead candidates against glutamate racemase.

Journal of molecular modeling

Avec: Ankit Kumar , Ekampreet Singh , Rajat Kumar Jha , Rameez Jabeer Khan , Monika Jain , Sudeep Varshney , Jayaraman Muthukumaran , Amit Kumar Singh

Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an

Journal of biomolecular structure & dynamics

Avec: Rameez Jabeer Khan , Rajat Kumar Jha , Ekampreet Singh , Monika Jain , Gizachew Muluneh Amera , Rashmi Prabha Singh , Jayaraman Muthukumaran , Amit Kumar Singh

A Comprehensive In Silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol.

Current computer-aided drug design

Avec: Rameez Jabeer Khan , Rajat Kumar Jha , Gizachew Muluneh Amera , Jayaraman Muthukumaran , Rashmi Prabha Singh , Amit Kumar Singh

Biological evaluation of gallic acid and quercetin derived from

Journal of biomolecular structure & dynamics

Avec: V Sachithanandam , A Parthiban , P Lalitha , Jayaraman Muthukumaran , Monika Jain , Dhanasekar Elumalai , Kamalraja Jayabal , R Sridhar , Purvaja Ramachandran , Ramesh Ramachandran

Prioritization of Mur family drug targets against A. baumannii and identification of their homologous proteins through molecular phylogeny, primary sequence, and structural analysis.

Journal, genetic engineering & biotechnology

Avec: Gizachew Muluneh Amera , Rameez Jabeer Khan , Rajat Kumar Jha , Amita Pathak , Jayaraman Muthukumaran , Amit Kumar Singh

Isolation and biological evaluation 7-hydroxy flavone from

Journal of biomolecular structure & dynamics

Avec: A Parthiban , V Sachithanandam , P Lalitha , Dhanasekar Elumalai , Radhakrishnan Nandini Asha , Thayalaraj Christopher Jeyakumar , J Muthukumaran , Monika Jain , Kamalraja Jayabal , T Mageswaran , R Sridhar , R Purvaja , R Ramesh

Non-Steroidal Anti-Inflammatory Drug Effect on the Binding of Plasma Protein with Antibiotic Drug Ceftazidime: Spectroscopic and In Silico Investigation.

International journal of molecular sciences

Avec: Mohd Sajid Ali , Ekampreet Singh , Jayaraman Muthukumaran , Hamad A Al-Lohedan

Interaction of the lysozyme with anticoagulant drug warfarin: Spectroscopic and computational analyses.

Heliyon

Avec: Mohd Sajid Ali , Hamad A Al-Lohedan , Rittik Bhati , Jayaraman Muthukumaran

Computational Exploration of Limonin as a Potential Inhibitor of DapB in Klebsiella pneumoniae.

Chemistry & biodiversity

Avec: Pragati Mahur , Abhishek Sharma , Amit Kumar Singh , Jayaraman Muthukumaran , Monika Jain

Computer aided ligand based screening for identification of promising molecules against enzymes involved in peptidoglycan biosynthetic pathway from Acinetobacter baumannii.

Microbial pathogenesis

Avec: Gizachew Muluneh Amera , Rameez Jabeer Khan , Amita Pathak , Rajat Kumar Jha , Jayaraman Muthukumaran , Amit Kumar Singh

Systematic exploration of predicted destabilizing nonsynonymous single nucleotide polymorphisms (nsSNPs) of human aldehyde oxidase: A Bio-informatics study.

Pharmacology research & perspectives

Avec: Catarina Coelho , Jayaraman Muthukumaran , Teresa Santos-Silva , Maria João Romão

Structural and functional characterization of chitin binding lectin from

Journal of biomolecular structure & dynamics

Avec: Monika Jain , Jayaraman Muthukumaran , Amit Kumar Singh

Shedding Light on the Interaction of Human Anti-Apoptotic Bcl-2 Protein with Ligands through Biophysical and in Silico Studies.

International journal of molecular sciences

Avec: Joao Ramos , Jayaraman Muthukumaran , Filipe Freire , João Paquete-Ferreira , Ana Rita Otrelo-Cardoso , Dmitri Svergun , Alejandro Panjkovich , Teresa Santos-Silva

Journal of biomolecular structure & dynamics

Avec: Chakradhara Rao S Uppugunduri , Jayaraman Muthukumaran , Shannon Robin , Teresa Santos-Silva , Marc Ansari

A comprehensive

Journal of biomolecular structure & dynamics

Avec: V Sachithanandam , P Lalitha , A Parthiban , Jayaraman Muthukumaran , Monika Jain , Ranjita Misra , T Mageswaran , R Sridhar , R Purvaja , R Ramesh

Réseau de co-auteurs

Monika Jain 21 collaborations

Amit Kumar Singh 19 collaborations

Rameez Jabeer Khan 13 collaborations

Rajat Kumar Jha 13 collaborations

Gizachew Muluneh Amera 10 collaborations

Ekampreet Singh 10 collaborations

Amita Pathak 6 collaborations

Rashmi Prabha Singh 6 collaborations

A Parthiban 5 collaborations

V Sachithanandam 5 collaborations

Teresa Santos-Silva 4 collaborations

Mohd Sajid Ali 4 collaborations

Hamad A Al-Lohedan 4 collaborations

P Lalitha 4 collaborations

R Sridhar 4 collaborations

H Surya Prakash Rao 3 collaborations

Ankit Kumar 3 collaborations

Mahrukh Parveez Zia 3 collaborations

T Mageswaran 3 collaborations

Ramalingam Gunasundari 2 collaborations

Purvaja Ramachandran 2 collaborations

Ramesh Ramachandran 2 collaborations

Ranjita Misra 2 collaborations

Abhishek Sharma 2 collaborations

Pragati Mahur 2 collaborations

Dhanasekar Elumalai 2 collaborations

Kamalraja Jayabal 2 collaborations

R Purvaja 2 collaborations

R Ramesh 2 collaborations

Cinthia Alves-Barroco 1 collaboration

Catarina Roma-Rodrigues 1 collaboration

Natesan Balasubramanian 1 collaboration

Marcia Aparecida Guimarães 1 collaboration

Bernadete T Ferreira-Carvalho 1 collaboration

Daniela Nunes 1 collaboration

Elvira Fortunato 1 collaboration

Rodrigo Martins 1 collaboration

Agnes M S Figueiredo 1 collaboration

Alexandra R Fernandes 1 collaboration

Ilda Santos-Sanches 1 collaboration

Prabakaran M 1 collaboration

Mohammad Tariq 1 collaboration

Abdullah Saad S Al-Sanea 1 collaboration

Saurabh Kumar Bhati 1 collaboration

M Abul Farah 1 collaboration

Osama Ibrahim Alsowilem 1 collaboration

Ramachandran Purvaja 1 collaboration

Ramachandran Ramesh 1 collaboration

Sudeep Varshney 1 collaboration

Radhakrishnan Nandini Asha 1 collaboration

Thayalaraj Christopher Jeyakumar 1 collaboration

J Muthukumaran 1 collaboration

Rittik Bhati 1 collaboration

Catarina Coelho 1 collaboration

Maria João Romão 1 collaboration

Joao Ramos 1 collaboration

Filipe Freire 1 collaboration

João Paquete-Ferreira 1 collaboration

Ana Rita Otrelo-Cardoso 1 collaboration

Dmitri Svergun 1 collaboration

Alejandro Panjkovich 1 collaboration

Chakradhara Rao S Uppugunduri 1 collaboration

Shannon Robin 1 collaboration

Marc Ansari 1 collaboration