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ArticlesPeer ReviewedFull Text
Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells
Author / Creator:Niranjan, Vidya ; Jayaprasad, Sanjana ; Uttarkar, Akshay ; Kusanur, Raviraj ; Kumar, Jitendra
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-12, Vol.28 (1), p.89
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ArticlesPeer ReviewedFull Text
Mycobacterium Time-Series Genome Analysis Identifies AAC2′ as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism
Author / Creator:Niranjan, Vidya ; Uttarkar, Akshay ; Murali, Keerthana ; Niranjan, Swarna ; Gopal, Jayalatha ; Kumar, Jitendra
Publisher:Basel: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-09, Vol.27 (19), p.6150
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ArticlesPeer ReviewedFull Text
Understanding the Xylooligosaccharides Utilization Mechanism of Lactobacillus brevis and Bifidobacterium adolescentis: Proteins Involved and Their Conformational Stabilities for Effectual Binding
Author / Creator:Khangwal, Ishu ; Skariyachan, Sinosh ; Uttarkar, Akshay ; Muddebihalkar, Aditi G. ; Niranjan, Vidya ; Shukla, Pratyoosh
Publisher:New York: Springer US
Journal title:Molecular biotechnology, 2022-01, Vol.64 (1), p.75-89
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ArticlesPeer ReviewedFull Text
Scope of repurposed drugs against the potential targets of the latest variants of SARS-CoV-2
Author / Creator:Niranjan, Vidya ; Setlur, Anagha Shamsundar ; Karunakaran, Chandrashekar ; Uttarkar, Akshay ; Kumar, Kalavathi Murugan ; Skariyachan, Sinosh
Publisher:New York: Springer US
Journal title:Structural chemistry, 2022-10, Vol.33 (5), p.1585-1608
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ArticlesPeer ReviewedFull Text
De Novo Design of Anti-COVID Drugs Using Machine Learning-Based Equivariant Diffusion Model Targeting the Spike Protein
Author / Creator:Niranjan, Vidya ; Uttarkar, Akshay ; Ramakrishnan, Ananya ; Muralidharan, Anagha ; Shashidhara, Abhay ; Acharya, Anushri ; Tarani, Avila ; Kumar, Jitendra
Publisher:Switzerland: MDPI
Journal title:Current issues in molecular biology, 2023-05, Vol.45 (5), p.4261-4284
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ArticlesPeer ReviewedFull Text
Correction to: Scope of repurposed drugs against the potential targets of the latest variants of SARS-CoV-2
Author / Creator:Niranjan, Vidya ; Setlur, Anagha Shamsundar ; Karunakaran, Chandrashekar ; Uttarkar, Akshay ; Kumar, Kalavathi Murugan ; Skariyachan, Sinosh
Publisher:New York: Springer US
Journal title:Structural chemistry, 2022-12, Vol.33 (6), p.2263-2263
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ArticlesPeer ReviewedFull Text
Insights on Novel Effectors and Characterization of Metacaspase (RS107_6) as a Potential Cell Death-Inducing Protein in Rhizoctonia solani
Author / Creator:Kavya, N ; Prasannakumar, M K ; Venkateshbabu, Gopal ; Niranjan, Vidya ; Uttarkar, Akshay ; Buela Parivallal, P ; Banakar, Sahana N ; Mahesh, H B ; Devanna, Pramesh ; Manasa, K G ; Shivakumara, Tagginahalli N
Publisher:Switzerland: MDPI AG
Journal title:Microorganisms (Basel), 2023-04, Vol.11 (4), p.920
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ArticlesPeer ReviewedFull Text
Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS
Author / Creator:Niranjan, Vidya ; Rao, Purushotham ; Uttarkar, Akshay ; Kumar, Jitendra
Publisher:United States: Public Library of Science
Journal title:PloS one, 2023-08, Vol.18 (8), p.e0288264-e0288264
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ArticlesPeer ReviewedFull Text
Carboxymuconolactone decarboxylase is a prospective molecular target for multi-drug resistant Acinetobacter baumannii-computational modeling, molecular docking and dynamic simulation studies
Author / Creator:Rana, Shraddha ; Skariyachan, Sinosh ; Uttarkar, Akshay ; Niranjan, Vidya
Publisher:United States: Elsevier Ltd
Journal title:Computers in biology and medicine, 2023-05, Vol.157, p.106793-106793, Article 106793
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ArticlesPeer ReviewedFull Text
Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repur...
Author / Creator:Skariyachan, Sinosh ; Gopal, Dharshini ; Chakrabarti, Shweta ; Kempanna, Priya ; Uttarkar, Akshay ; Muddebihalkar, Aditi G ; Niranjan, Vidya
Publisher:United States: Elsevier Ltd
Journal title:Computers in biology and medicine, 2020-11, Vol.126, p.104054-104054, Article 104054
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ArticlesPeer ReviewedFull Text
Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies
Author / Creator:Skariyachan, Sinosh ; Gopal, Dharshini ; Muddebihalkar, Aditi G ; Uttarkar, Akshay ; Niranjan, Vidya
Publisher:United States: Elsevier Ltd
Journal title:Computers in biology and medicine, 2021-05, Vol.132, p.104325-104325, Article 104325
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ArticlesFull Text
Re-profiling of natural inhibitor via combinatorial drug screening: Brefeldin A variant design as an effective antagonist leading to EPAC2 structure modification and antibody design for identification
Author / Creator:Uttarkar, Akshay ; Niranjan, Vidya
Publisher:Cold Spring Harbor: Cold Spring Harbor Laboratory Press
Journal title:bioRxiv, 2021-04
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ReportsFull Text
Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS
Author / Creator:Niranjan, Vidya ; Rao, Purushotham ; Uttarkar, Akshay ; Kumar, Jitendra
Publisher:Public Library of Science
Journal title:PLoS ONE, 2023, Vol.18 (8), p.e0288264
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ReportsFull Text
Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells
Author / Creator:Niranjan, Vidya ; Jayaprasad, Sanjana ; Uttarkar, Akshay ; Kusanur, Raviraj ; Kumar, Jitendra
Publisher:MDPI AG
Journal title:Molecules (Basel), 2022, Vol.28 (1)
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ReportsFull Text
Mycobacterium Time-Series Genome Analysis Identifies AAC2′ as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism
Author / Creator:Niranjan, Vidya ; Uttarkar, Akshay ; Murali, Keerthana ; Niranjan, Swarna ; Gopal, Jayalatha ; Kumar, Jitendra
Publisher:MDPI AG
Journal title:Molecules (Basel), 2022, Vol.27 (19)
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ReportsFull Text
Insights on Novel Effectors and Characterization of Metacaspase as a Potential Cell Death-Inducing Protein in Rhizoctonia solani
Author / Creator:Kavya, N ; Prasannakumar, M. K ; Venkateshbabu, Gopal ; Niranjan, Vidya ; Uttarkar, Akshay ; Buela Parivallal, P ; Banakar, Sahana N ; Mahesh, H. B ; Devanna, Pramesh ; Manasa, K. G ; Shivakumara, Tagginahalli N
Publisher:MDPI AG
Journal title:Microorganisms, 2023, Vol.11 (4)
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Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells

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Mycobacterium Time-Series Genome Analysis Identifies AAC2′ as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism

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Understanding the Xylooligosaccharides Utilization Mechanism of Lactobacillus brevis and Bifidobacterium adolescentis: Proteins Involved and Their Conformational Stabilities for Effectual Binding

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Scope of repurposed drugs against the potential targets of the latest variants of SARS-CoV-2

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De Novo Design of Anti-COVID Drugs Using Machine Learning-Based Equivariant Diffusion Model Targeting the Spike Protein

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Correction to: Scope of repurposed drugs against the potential targets of the latest variants of SARS-CoV-2

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Insights on Novel Effectors and Characterization of Metacaspase (RS107_6) as a Potential Cell Death-Inducing Protein in Rhizoctonia solani

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Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS

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Carboxymuconolactone decarboxylase is a prospective molecular target for multi-drug resistant Acinetobacter baumannii-computational modeling, molecular docking and dynamic simulation studies

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Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repur...

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Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies

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Re-profiling of natural inhibitor via combinatorial drug screening: Brefeldin A variant design as an effective antagonist leading to EPAC2 structure modification and antibody design for identification

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Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS

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Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells

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Mycobacterium Time-Series Genome Analysis Identifies AAC2′ as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism

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Insights on Novel Effectors and Characterization of Metacaspase as a Potential Cell Death-Inducing Protein in Rhizoctonia solani

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