Article
Biotechnology & Applied Microbiology
Gaurav Singh Kaira, Dandamudi Usharani, Mukesh Kapoor
ENZYME AND MICROBIAL TECHNOLOGY
(2020)
Article
Biochemistry & Molecular Biology
Aiswarya Purushothaman, Achutha Anil Sheeja, Deepa Janardanan
FREE RADICAL RESEARCH
(2020)
Article
Biochemistry & Molecular Biology
Shaik Abduldileep, Raja Narayanasamy, Dandamudi Usharani, Ajeet Singh, Ram Rajasekharan
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2020)
Article
Biochemistry & Molecular Biology
Anusree Lohithakshan, Raja Narayanasamy, Upasana S. Potteth, Shwetha Keshava, Vibha Nagaraja, Dandamudi Usharani, Ravi Kumar
Summary: The study characterized the biochemical characteristics of FADS from Staphylococcus aureus, showing its riboflavin kinase and FMN adenylyltransferase activities. Mutations in conserved residues K289 and F290 affected enzyme activities. Understanding the mechanism of action of FADS could be helpful in discovering species-specific antibacterial drugs.
Article
Chemistry, Multidisciplinary
Buddhadeb Chakraborty, Maheshwari Horalavadi Mahadavaiah, Dandamudi Usharani, Harapriya Rath
Summary: This study reports the synthesis, spectroscopic and solid state structural proof of a highly stable meso-pyrrole appended expanded dioxaphlorin, with potential application as a fluoride ion sensor. The efficient conversion to aromatic dioxasapphyrin upon trifluoroacetic acid reaction is anticipated. The conformational preorganization and anion induced conformational reorganization are thoroughly investigated through various spectroscopic techniques and theoretical calculations.
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
(2021)
Article
Biology
Selvakumar Murugesan, Sanjay Kottekad, Inchara Crasta, Sivakumar Sreevathsan, Dandamudi Usharani, Madan Kumar Perumal, Sandeep Narayan Mudliar
Summary: This study aimed to investigate the potential of bioactive compounds from Emblica officinalis, Phyllanthus niruri Linn., and Tinospora cordifolia to inhibit the enzymatic activity of COVID-19 Mpro. In silico results revealed that certain bioactives showed better binding affinities with COVID-19 Mpro, suggesting their potential as promising inhibitors.
COMPUTERS IN BIOLOGY AND MEDICINE
(2021)
Article
Chemistry, Organic
Nyancy Halder, Krushna Chandra Sahoo, Kumar Gourav, Dandamudi Usharani, Harapriya Rath
Summary: The expedient synthesis, spectroscopic analysis, solid state structural proof, and theoretical study of helically twisted weakly aromatic hybrid singly N-confused ferrocenoporphyrinoids and the peripheral coordinated Rh(I) complex are reported. The three-dimensional structure with built-in fused tricyclic [5.5.5] moiety leads to weak diatropicity, while the peripheral coordinated Rh(I) complex exists as a mixture of diastereomers with well-resolved H-1 NMR spectra revealing weak aromaticity. The experimental spectroscopic measurements and theoretical electronic structure analysis strongly support sustained weak diatropic ring currents in twisted macrocycles.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Nyancy Halder, Maheshwari Horalavadi Mahadavaiah, Dandamudi Usharani, Harapriya Rath
Summary: The study presents the first spectroscopic and theoretical report on distorted square planar Ni(II) organometallic complex and near square planar organometallic Cu(III) complex, synthesized by one inner CH activation and double inner CH activation, respectively. These highly stable nickel and copper organometallic complexes exhibit different oxidation states and conformational changes induced by M-C bond formations, as analyzed through various spectroscopic techniques and DFT level theoretical calculations.
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
(2021)
Article
Physics, Atomic, Molecular & Chemical
Dandamudi Usharani, Maria Elisa Crestoni, Simonetta Fornarini
Summary: The thermal gas-phase reaction between [NOH](+) and NO was studied using FT-ICR mass spectrometry and high level quantum chemical calculations. An exclusive electron transfer reactivity was observed, supported by the calculated energy profile for the plausible pathways. The reaction may also yield an adduct with a significant charge transfer, but no experimental evidence was found for this alternative route with a calculated barrier of approximately 12 kcal/mol.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2022)
Article
Chemistry, Physical
Keerthi Mohan, Aiswarya Purushothaman, Deepa Janardanan, Karickal R. Haridas
Summary: In this study, eight azo derivatives were synthesized and characterized, and their solvatochromism, electrochemical properties, solvent effect on molecular energy levels, and thermal stability were investigated. The results show interesting behaviors in different solvents and provide insights into the properties of these dyes.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Applied
Aiswarya Purushothaman, K. S. Teena Rose, Jesni M. Jacob, Rajapandian Varatharaj, K. Shashikala, Deepa Janardanan
Summary: The research found that hispolon and polyhydroxycurcumin are good radical scavengers, while halfcurcumin exhibits similar activity to curcumin. Experimental results show that the absorption properties of these antioxidants are in good agreement with expectations.
Article
Chemistry, Organic
Aiswarya Purushothaman, Puthiyottil Jishnu Gopal, Deepa Janardanan
Summary: This study investigated the hydroperoxyl radical scavenging activity of oat avenanthramides using density functional theory. Three probable mechanisms were considered, and it was found that hydrogen atom transfer and sequential proton loss electron transfer were the most likely mechanisms. The results showed that sequential proton loss electron transfer was the preferred pathway in polar media, and avenanthramide C, characterized by an ortho-dihydroxy functionality, was the most potent radical scavenger.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Aiswarya Purushothaman, Smrithi S. Babu, Surya Naroth, Deepa Janardanan
Summary: This study investigates the properties of caffeic acid in scavenging radicals and forming new metabolites via oxidative degradation using density functional theory. The results show that caffeic acid removes radicals through hydrogen atom transfer and forms new metabolites with comparable antioxidant activity.
FREE RADICAL RESEARCH
(2022)
Article
Chemistry, Physical
K. Shashikala, Deepa Janardanan
CHEMICAL PHYSICS LETTERS
(2020)
Article
Chemistry, Organic
Sumit Sahoo, Mohandas Sangeetha, Soumita Bera, Dandamudi Usharani, Harapriya Rath
ORGANIC & BIOMOLECULAR CHEMISTRY
(2020)