Professional Qualifications

Sr. No.	Degree	Subject	University	Rank	Address
1	Ph.D.	QUANTUM-CHEMICAL AND SPECTROSCOPIC STUDIES OF SOME SMALL SYSTEMS	UNIVERSITY OF LUCKNOW	NA	UNIVERSITY OF LUCKNOW
2	M.Sc.	PHYSICS	UNIVERSITY OF LUCKNOW	FIRST	UNIVERSITY OF LUCKNOW
3	B.Sc.	PHYSICS, MATHS, CHEMISTRY	UNIVERSITY OF LUCKNOW	FIRST

Books Published / Chapters Contributed

Sr. No.	Article Title	Book Title	Editor	Pages	Chapters	Year	ISBN	Publisher	Authors
No book records found.

Journal Publications

Sr. No.	Title	Journal Name	Year	URL	Author Position	Authors	Clarivate IF
1	Hydrazone-linked isatin-pyridine hybrids for EGFR inhibition: Insights from density functional and molecular docking analyses	Journal of Molecular Structure	2026	https://doi.org/10.1016/j.molstruc.2025.145130	6th	Shilendra K. Pathak a , Zohra Siddiqui b , Anushree Maurya b , Mamta Pal b , Raj Shukla b , Ruchi Srivastava c , Vikas K. Shukla d , Onkar Prasad b , Leena Sinha b
2	In Silico and in Vitro Evaluation of (1H-indol-3-ylmethylene)-pyridin-3-yl-amine as 6 a Potent Inhibitor for VEGFR2, EGFR and Progesterone Receptors	Iranian Chemical Society	2025	DOI: 10.22036/pcr.2025.500025.2629	6th	Z. Siddiquia , A. Mauryaa , M. Pala , R. Shuklaa , S.K. Pathakb , R. Srivastavac , V.K. Shuklad 8 , O. Prasada and L. Sinhaa, 9 *
3	A Novel Pyridopyrimidine Derivative as a Potential Breast Cancer Agent: DFT, Docking, MD Simulation, and Cytotoxic Studies	Chemistry & Biodiversity,	2025	https://doi.org/10.1002/cbdv.202501955	7	Anushree Maurya1 Lamya H. Al-Wahaibi2 Mamta Pal1 Raj Shukla1 Zohra Siddiqui1 Shilendra K. Pathak3 Ruchi Srivastava4 Vikas K. Shukla5 Himani Kulshrestha6 Mustafa Kurban7 Ali A. El-Emam8 Onkar Prasad1 Leena Sinha1
4	In silico insights into dual COX inhibition by fluorosubstituted indole derivative using DFT, molecular docking, and MD simulation studies	J Chin Chem Soc.	2025	DOI: 10.1002/jccs.70020	5th	Mamta Pal 1 | Raj Shukla1 | Anushree Maurya1 | Zohra Siddiqui 1 | Ruchi Srivastava2 | Shilendra K. Pathak3 | Vikas K. Shukla4 | Onkar Prasad1 | Leena Sinha
5	• A comprehensive analysis 0f spectroscopic and drug-like properties of dimethyl 5- hydroxybenzene-1,3-dicarboxylate: insights from DFT and MD simulations.	Molecular Simulation	2024	https://doi.org/10.1080/08927022.2024.2397463.	6th	Mamta Pala , Anushree Mauryaa , Raj Shuklaa , Zohra Siddiquia , Shilendra Kumar Pathakb , Ruchi Srivastavaa , Vikas K. Shuklac , Onkar Prasada and Leena Sinhaa
6	Structural Characterization, Spectroscopic Profile, Molecular Docking, ADMET Properties, Molecular Dynamics Simulation Studies, and Molecular Mechanics Generalized Born Surface Area Analysis of 5-(Adamantan-1-yl)-4-butyl-2,4-dihydro-3H-1,2,4-triazole-3-th	ACS omega	2024	10.1021/acsomega.4c03512
7	Synthesis, Spectroscopic Analysis, Molecular Docking, Molecular Dynamics Simulation of 5-(Adamantan-1-yl)-4-(3-Chlorophenyl)-2, 4- Dihydro-3H-1, 2, 4-Triazole-3-Thione, a Potential Anti-proliferative Agent. Polycyclic Aromatic Compounds	Taylor & Francis , Polycyclic Aromatic Compounds	2024	10.1080/10406638.2023.2219362
8	Spectroscopic, electronic structure, molecular docking, and molecular dynamics simulation study of 7-Trifluoromethyl-1H-indole-2-carboxylic acid as an aromatase inhibitor	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy	2022
9			2022	https://doi.org/10.1016/j.saa.2022.121530	2nd	Isha Singh a , Ruchi Srivastava a , Vikas K. Shukla b , Shilendra K. Pathak c , Tanay Burman d , Aamal A. Al-Mutairi e , Ali A. El-Emam f, Onkar Prasad a, Leena Sinha a Show more
10	DFT Study on the Electronic Properties, Spectroscopic Profile, and Biological Activity of 2 Amino-5-trifluoromethyl-1,3,4-thiadiazole with Anticancer Properties.	ACS OMEGA	2020	https://doi.org/10.1021/acsomega.0c04474	3rd	Isha SinghLamya H. Al-Wahaibi*Ruchi SrivastavaOnkar PrasadShilendra K. PathakSaurabh KumarShama ParveenMonisha BanerjeeAli A. El-EmamLeena Sinha*
11	Experimental and theoretical DFT (B3LYP, X3LYP,CAM-B3LYP and M06-2X) study on electronic structure, spectral features, Hydrogen bonding and solvent effects of 4-methylthiadiazole-5-carboxylic acid	Molecular Simulation	2019	https://doi.org/10.1080/08927022.2019.1629434	4th	Isha Singh,Ali A. El-Emam,Shilendra K. Pathak,Ruchi Srivastava,Vikas K. Shukla,Onkar Prasad &Leena Sinha
12	A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate.	Journal of Molecular Structure	2017	https://doi.org/10.1016/j.molstruc.2017.02.084	1st	Ruchi Srivastava a , Fatmah A.M. Al-Omary b , Ali A. El-Emam b, Shilendra K. Pathak a , M. Karabacak c, Vijay Narayan d , Satish Chand d , Onkar Prasad a, Leena Sinha
13	Special features, electric properties, NBO analysis and reactivity descriptors of 2-(2-(Benzothiazolylthio)-Ethanol: Combined experimental and DFT studies.	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy	2015	https://doi.org/10.1016/j.saa.2014.09.091	1st	Ruchi Srivastava a , L. Sinha a, M. Karabacak b , O. Prasad a, S.K. Pathak a , A.M. Asiri c d, M. Cinar e
14	Synthesis, structural characterization, and antimicrobial evaluation of a novel indole-based Schiff base: DFT Insights and molecular docking studies	Journal of Molecular Structure	2026	10.1016/j.molstruc.2026.146788	7	Mamta Pal a , Karunesh Keshav b , Onkar Prasad a , Sakshi Tanya c , Abadh Kishor Jha d , Pritam Torawane e , Ruchi Srivastava f , Leena Sinha

Research Projects

Sr. No.	Title	Category	Level	Department	Status	Principal Investigator	Funding Agency	Start Date	End Date	Amount
No research records found.

Experience

Sr. No.	Total Experience	College Name	Designation	Department
No research records found.

Research ID

Sr. No.	Google Scholar ID	ORCID ID	VIDWAN ID
1	bkAMIlUAAAAJ	orcid.org/0009-0001-3216-7409	705178

Papers Presented

Sr. No.	Paper Title	Seminar Title	Organized By	Level	Start Date	Place	Country	Duration
No paper records found.

Events Organized

Sr. No.	Type	Level	Organized By	Your Role	Date	Title	Duration	Place
1	Academic	College	Department of Physics	Co Convener	2026-01-28	National Science Day	1 day	College Auditorium

Participation in Events

Sr. No.	Title	Type	Level	Organized By	Start Date	Place	Duration
No participation records found.

Guided Thesis

Sr. No.	Candidate Name	Department	University	Title of Thesis	Date of Award
No thesis records found.

Support / Guidance

Sr. No.	Paper Title	Department	Type	Institution	Student Name
No support records found.

Programs Organized / Attended

Sr. No.	Title of Event	Type	Level	Organized By	Place	Date From	Date To
1	Faculty Induction Program	Academic	UGC MMTTC	University of Lucknow	Lucknow UP	2025-09-01	2025-09-30
2	FDP	Academic	National	for advanced computional research new delhi India	online	2025-10-06	2025-10-15
3

AWARDS / RECOGNITIONS / ACHIEVEMENTS

Sr. No.	Name of Award	Description	Organisation	Month/Year
No program records found.

Patent

Sr. No.	Name of Patent	Inventor	Type of Specification	Granted Awarded Date	dPublication Application Date	dApplication Filing Date	vPublication Number	vPatent Number	vField of Invention
No program records found.