Dr. Lucia Pirvu

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Academic Career Length

18Years (2009-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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12 July 2020 in Chemical Biology & Drug Design

Journal Article

The recent challenges of highly contagious COVID‐19, causing respiratory infections: Symptoms, diagnosis, transmission, possible vaccines, animal models, and immunotherapy

Venkataramana Kandi

Debadutta Das

1 March 2021 in Journal of King Saud University – Science

Journal Article

Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity analysis

Ranjan K. Mohapatra

Lina Perekhoda

Mohammad Azam

Marharyta Suleiman

Ashish K. Sarangi

Saud I. Al-Resayes

In this study, we examined five previously synthesized compounds and checked their binding affinity towards the SARS-CoV-2 main protease (Mpro) by molecular docking study, and compared the data with three FDA approved drugs, i.e., Remdesivir, Ivermectine and Hydroxychlorochine. In addition, we have investigated the docking study against the main protease of SARS-CoV-2 (Mpro) by using Autodock 4.2 software package. The results suggested that the investigated compounds have property to bind the active position of the protein as reported in approved drugs. Hence, further experimental studies are required. The formation of intermolecular interactions, negative values of scoring functions, free binding energy and the calculated binding constants confirmed that the studied compounds have significant affinity for the specified biotarget. These studied compounds were passed the drug-likeness criteria as suggested by calculating ADME data by SwissADME server. Moreover, the ADMET properties suggested that the investigated compounds to be orally active compounds in human. Furthermore, density functional computations (DFT) were executed by applying GAUSSIAN 09 suit program. In addition, Quantitative Structure-Activity Relationship (QSAR) was studied by applying HyperChem Professional 8.0.3 program.

23 May 2020 in Applied Organometallic Chemistry

Journal Article

Synthesis and characterization of some binuclear metal complexes with a pentadentate azodye ligand: An experimental and theoretical study

Ashish Kumar Sarangi

Bipin Bihari Mahapatra

Ranjan K. Mohapatra

Sisir Kumar Sethy

Debadutta Das

Hemanta Meher

1 April 2021 in Journal of Molecular Structure

Journal Article

Mixed-ligand complexes of ampicillin derived Schiff base ligand and Nicotinamide: Synthesis, physico-chemical studies, DFT calculation, antibacterial study and molecular docking analysis

Taghreed H. Al-Noor

Ranjan K. Mohapatra

Mohammad Azam

Lekaa K. Abdul Karem

Pranab K. Mohapatra

Lucia Pintilie

6 May 2020 in Journal of Saudi Chemical Society

Journal Article

Synthesis, structural investigations and antimicrobial studies of hydrazone based ternary complexes with Cr(III), Fe(III) and La(III) ions

Najla M. El-Barasi

Miloud M. Miloud

Marei M. El-Ajaily

Ranjan K. Mohapatra

Ashish Kumar Sarangi

Mohammad Azam

A novel series of three trivalent mononuclear ternary complexes of the type, [ML₁L₂] [M = Cr(III), Fe(III) and La(III), HL₁ = 2-((2-(2,4-dinitrophenyl)hydrazone)methyl)phenol, HL₂ = 2-aminophenol] was investigated by various physio-chemical studies. To obtain additional information inside the structure, density functional theory calculation was also carried out. The synthesized complexes showed remarkable antimicrobial activity when tested against A. niger, A. flavus, R. stolonifer, C. albicans, E. coli and Klebsiella sp. microbes. Furthermore, the molecular docking analysis was also carried out to analyze the interactions in protein–ligand complexes. Moreover, the quantitative structure–activity relationship was also investigated to study the biological activity of the ligand.

25 March 2020 in Molecules

Journal Article

New Substituted Benzoylthiourea Derivatives: From Design to Antimicrobial Applications

The increasing threat of antimicrobial resistance to all currently available therapeutic agents has urged the development of novel antimicrobials. In this context, a series of new benzoylthiourea derivatives substituted with one or more fluorine atoms and with the trifluoromethyl group have been tested, synthesized, and characterized by IR, NMR, CHNS and crystal X-ray diffraction. The molecular docking has provided information regarding the binding affinity and the orientation of the new compounds to Escherichia coli DNA gyrase B. The docking score predicted the antimicrobial activity of the studied compounds, especially against E. coli, which was further demonstrated experimentally against planktonic and biofilm embedded bacterial and fungal cells. The compounds bearing one fluorine atom on the phenyl ring have shown the best antibacterial effect, while those with three fluorine atoms exhibited the most intensive antifungal activity. All tested compounds exhibited antibiofilm activity, correlated with the trifluoromethyl substituent, most favorable in para position.

About Me

Senior researcher within the Pharmaceutical Biotechnologies Department of National Institute for Chemical-Pharmaceutical Research and Development, ICCF Bucharest (1996 - 2022); graduated from University of Bucharest, Faculty of Biology, specialization Biochemistry (1994); postgraduated with Master’s studies in Molecular Biology from University of Bucharest, Faculty of Biology (1994-1995); doctoral studies at POLITEHNICA University of Bucharest, Faculty of Applied Chemistry and Sciences of Materials (2003-2008); PhD title (2008); Work experience: Extensive experience (26 years) in the field of research and development of herbal medicines and plant-derived products for human and animal use (eg., innovative ingredients for cosmeceuticals, and food and alimentary supplements), industrial use (natural products with anti-corrosion, anti-scale properties), and agricultural use (repellent products and bio fertilizers) using plant biomass (e.g., medicinal plants, waste from cereals, fruits and vegetables, berries, etc). Extensive experience in the field of technology transfer by leading a project of 3.5 million EUR, POC-G-2015, SMIS 105542, through which 11 natural products and their technologies to SME.s were transferred; coordinated other 11 interdisciplinary national research projects summing together about 4 million EUR. The author of more than 50 original papers, 2 books, 1 book chapter, and 12 patents.

Dr. Lucia Pirvu

Dr. Lucia Pirvu

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About Me