Dr. Vibhu Jha,Assistant Professor
Information about Dr. Vibhu Jha at the University of Bradford.
- School of Pharmacy & Medical Sciences
(Faculty of Life Sciences) - Email:
- v.jha2@bradford.ac.uk
Biography
Vibhu Jha has studied B. Pharm. from Chhattisgarh Swami Vivekananda Technical University (CSVTU), Bhilai, India (2008 â 2012). Vibhu undertook M. S. Pharm. (Medicinal Chemistry) from the National Institute of Pharmaceutical Education and Research (NIPER), Raebareli, India (2013 â 2015). As a part of his masters dissertation, he spent one year at the CSIR â Central Drug Research Institute (CDRI), Lucknow, India, working on âIn silico studies and synthesis of antidiabetic agents.â Vibhu subsequently joined School of Pharmacy, ITM University, Gwalior, India as an Assistant Professor carrying out teaching and research activities at UG level (2015 â 2017). Vibhu obtained an international fully-funded PhD position at the Department of Pharmacy, University of Pisa, Italy and was awarded âExcellent honoursâ (2017 â 2021). His PhD was focused on molecular modeling and virtual screening studies to identify new anticancer hit compounds, against druggable protein targets. In addition, Vibhu spent 6-months as a visiting PhD researcher at the Institute of Cancer Therapeutics (2019), gaining medicinal chemistry experience. Vibhu joined School of Life Sciences, University of Dundee, UK, as a Researcher in Molecular Modeling, focussing on antitubercular and antimalarial drug discovery (2021 â 2022). Vibhu subsequently moved to the Department of Chemistry and Molecular Biology, University of Gothenburg, Sweden as a Postdoc (2022 â 2023), working on various anticancer drug discovery projects driven by the state-of-the-art computational modeling techniques, also including masters project supervision, and teaching. Vibhu joined Institute of Cancer Therapeutics as an Assistant Professor in Computational Drug Design. Vibhu utilizes conventional computational modeling tools such as docking, molecular dynamics, virtual screening etc along with the state-of-the-art Artificial Intelligence and Machine Learning tools to study protein â ligand, protein â protein , protein â DNA interactions, that further helps to develop small molecule inhibitors/modulators against various cancer types. Vibhu is an active collaborator with different research groups in Italy, Sweden, Germany and India.
Research
My research involves utilizing a wide range of computational modeling techniques such as homology modeling, docking, molecular dynamics simulations, QM/MM simulations and binding free energy calculations to study protein â ligand and protein â protein interactions, their mechanism of activation/inhibition relevant to cancer. The research is further supported by structure-based and ligand-based drug design studies involving high-throughput virtual screening, pharmacophore and QSAR modeling to develop new hit and lead compounds against cancer drug targets as following: (A) Targeting 1C metabolism pathway to develop selective inhibitors of methylenetetrahydrofolate dehydrogenases (MTHFD2), serine hydroxy methyltransferase 2 (SHMT2) and dihydrofolate folate reductases (DHFR) against breast and colorectal cancers.(B) Developing dual inhibitors of mutated epidermal growth factor receptor tyrosine kinases EGFR (L858R/T790M)/ACK1 as a new therapeutic strategy to overcome drug resistance in lung cancers. 3(C) Developing inhibitors that simultaneously inhibit human topoisomerases (hTopos) and histone deacetylases (HDACs), showing dual mode of inhibition against lung cancer. Artificial intelligence and machine learning routines such as random forest (RF), support vector machine (SVM), artificial neural network (ANN) are furthermore employed to develop predictive and generative models against (1) ALDH1A1, ALDH1A2, ALDH1A3, ALDH3A1 and ALDH71 isoforms (2) EGFR (L858R/T790M) and ACK1 kinases, using huge chemical databases.
Research collaborators
Name | Company | Country | Type | Role | Theme | Description |
---|---|---|---|---|---|---|
Department of Pharmaceutical Sciences and Natural Product, Central University of Punjab | IN | EXTERNAL | Co-guiding the project, MedChem and pharmacological assays | Medicinal Chemistry and Pharmacology | Developing topoisomerase inhibitors and dual inhibitors of HDAC/Topoisomerase against cancer, | |
Department of Chemistry and Molecular Biology, University of Gothenburg | SE | EXTERNAL | Co-guiding the projects, labour division | Computational Drug Discovery, Artificial Intelligence and Machine Learning in Drug Discovery | Developing inhibitors against prominent cancer drug targets such as MTHFD2, as well as developing protein -protein interaction inhibitors of TSC2 - Rheb, and Sec23 - Sec24 from the unfolded protein response (UPR). | |
Department of Pharmacy, University of Pisa | IT | EXTERNAL | Co-guiding the project, MedChem work | Medicinal Chemistry, Computational Drug Discovery, Artificial Intelligence and Machine Learning in Drug Discovery | Developing PROTACs against MTHFD2-overexpressed cancers |
Professional activities
Information about education, employment and areas of particular interest for Dr. Vibhu Jha is as follows:
- Hindi
- English
Education
- Chhattisgarh Swami Vivekananda Technical University, Bhilai, India - B. Pharm.
- Department of Pharmacy, University of Pisa, Italy - PhD in Pharmaceutical Science
- National Institute of Pharmaceutical Education and Research, Raebareli, India - M. S. Pharm. (Medicinal Chemistry)
- Institute of Cancer Therapeutics, University of Bradford - Visiting PhD
Employment
- ITM University, Gwalior, India - Assistant Professor in Pharmaceutical Chemistry in the year 2015 (specified as 13/07/2015)
- University of Dundee, UK - Researcher in Molecular Modeling in the year 2021 (specified as 15/03/2021)
- University of Gothenburg, Sweden - Postdoctoral Researcher in Computational Drug Discovery in the year 2022 (specified as 01/04/2022)
- Chhattisgarh State Pharmacy Council, Raipur, India, Regulation of pharmacy practice, pharmacy profession and pharmacy education in the country
- B. Pharm. Gold Medalist in the year 01-MAY-12 (specified as 01/05/2012)
- Fully-funded international PhD position in the year 01-SEP-17 (specified as 01/09/2017)
- 2-year research position approved at the University of Dundee in the year 01-MAR-21 (specified as 01/03/2021)
- 2-year Postdoc research funding at the University of Gothenburg, Sweden in the year 01-APR-22 (specified as 01/04/2022)
- Qualified Graduate Pharmacy Aptitude Test (GPAT) with All India Rank 541 in the year 01-MAY-13 (specified as 01/05/2013)
- Qualified NIPER-JEE with All India Rank 315 in the year 01-JUN-13 (specified as 01/06/2013)
- Excellent Grade with Honours in PhD in the year 01-FEB-21 (specified as 01/02/2021)
- 2-year Postdoc research funding at the University of Gothenburg, Sweden in the year 01-MAR-21 (specified as 01/03/2021)
Publications
There are 18 publications involving or that are attributed to Dr. Vibhu Jha. They are listed as:
- article (1)
- book chapter (1)
- conference contribution (4)
- conference publication (2)
- peer reviewed journal (10)
Article
Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
---|---|---|---|---|---|---|---|---|---|---|---|
Molecular structural investigations of quinoxaline derivatives through 3D-QSAR, molecular docking, ADME prediction and pharmacophore modeling studies for the search of novel antimalarial agent | 2022 | Achal Mishra, Vibhu Jha, Harish Rajak | Elsevier |
Book Chapter
Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
---|---|---|---|---|---|---|---|---|---|---|---|
Implication of drug repurposing in the identification of antibacterial agents | 2023 | Drug Repurposing | Drug Repurposing | Vibhu Jha, Leif A. Eriksson | De Gruyter | https://doi.org/10.1515/9783110791150-006 |
Conference Contribution
Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
---|---|---|---|---|---|---|---|---|---|---|---|
2023 | Modeling Interactions in Biomolecules IX | Modeling Interactions in Biomolecules IX | Vibhu Jha, Fredrik Lannestam Holmelin, Leif A. Eriksson | Prague, Czech Republic | |||||||
2022 | IPDD - structure-based drug design meeting | IPDD - structure-based drug design meeting | Vibhu Jha, Fredrik Lannestam Holmelin, Leif A. Eriksson | LINXS - Institute of advanced Neutron and X-ray Science, Lund, Sweden | |||||||
2018 | Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry, MedChemSicily2018 | Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry, MedChemSicily2018 | Vibhu Jha, Tiziano Tuccinardi | University of Palermo, Palermo, Italy | |||||||
2016 | 25th International Congress of SILAE (Società Italo-Latinoamericana di Etnomedicina) | 25th International Congress of SILAE (Società Italo-Latinoamericana di Etnomedicina) | Vibhu Jha, Nikhil Shrivastava | Universita delgi Studi di Modena Reggio Emilia, Italy |
Conference Publication
Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
---|---|---|---|---|---|---|---|---|---|---|---|
Abstract 1820: N,N-diethylaminobenzaldehyde-based small molecules to probe aldehyde dehydrogenase as target in prostate cancer | 2022 | Proceedings: AACR Annual Meeting | Proceedings: AACR Annual Meeting | Elisabet Batlle Rocafort; Ali I. Ibrahim; Maria Sadiq; Sneha Smarakan; Vibhu Jha; Tiziano Tuccinardi; Fiona Frame; Norman Maitland; Rafael Jiménez Aguilar; Raquel Pequerul Pavón; Xavier Parés Casampera; Goreti Ribeiro Morais; Jaume Farrés Vicen; Klaus Pors | Cancer Research | https://doi.org/10.1158/1538-7445.AM2022-1820 | |||||
Virtual screening platform on structure based pharmacophore hypothesis to design potential human LDH-A inhibitors against cancer | 2018 | Joint Event on 8th World Congress on Chemistry and Organic Chemistry & International Conference on Biomedicine & Pharmacotherapy | Joint Event on 8th World Congress on Chemistry and Organic Chemistry & International Conference on Biomedicine & Pharmacotherapy | Vibhu Jha | https://doi.org/10.1158/1538-7445.AM2022-1820 |
Peer Reviewed Journal
Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
---|---|---|---|---|---|---|---|---|---|---|---|
Binding Modes of Xanthine-Derived Selective Allosteric Site Inhibitors of MTHFD2. | 2023 | ChemistryOpen | 12 | Jha V;Eriksson LA; | 2191-1363 | 10.1002/open.202300052 | |||||
Binding Analysis and Structure-Based Design of Tricyclic Coumarin-Derived MTHFD2 Inhibitors as Anticancer Agents: Insights from Computational Modeling. | 2023 | Acs Omega | 8 | Jha V;Holmelin FL;Eriksson LA; | 2470-1343 | 10.1021/acsomega.2c08025 | |||||
Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer | 2022 | Journal of Medicinal Chemistry | 65 | Ali I M Ibrahim, Elisabet Batlle, Smarakan Sneha, Rafael Jiménez, Raquel Pequerul, Xavier Parés, Till Rüngeler, Vibhu Jha, Tiziano Tuccinardi, Maria Sadiq, Fiona Frame, Norman J Maitland, Jaume Farrés, Klaus Pors | 10.1021/acs.jmedchem.1c01367 | ||||||
Design and Synthesis of Thionated Levofloxacin: Insights into a New Generation of Quinolones with Potential Therapeutic and Analytical Applications. | 2022 | Current Issues in Molecular Biology | 44 | Ibrahim AIM;Abul-Futouh H;Bourghli LMS;Abu-Sini M;Sunoqrot S;Ikhmais B;Jha V;Sarayrah Q;Abulebdah DH;Ismail WH; | 1467-3045 | 10.3390/cimb44100316 | |||||
Design, Synthesis, Biological Evaluation and In Silico Study of Benzyloxybenzaldehyde Derivatives as Selective ALDH1A3 Inhibitors. | 2021 | Molecules | 26 | Ibrahim AIM;Ikhmais B;Batlle E;AbuHarb WK;Jha V;Jaradat KT;Jiménez R;Pequerul R;Parés X;Farrés J;Pors K; | 1420-3049 | 10.3390/molecules26195770 | |||||
Discovery of a new ATP-citrate lyase (ACLY) inhibitor identified by a pharmacophore-based virtual screening study. | 2021 | Journal of Biomolecular Structure and Dynamics | 39 | Jha V;Galati S;Volpi V;Ciccone L;Minutolo F;Rizzolio F;Granchi C;Poli G;Tuccinardi T; | 1538-0254 | 10.1080/07391102.2020.1773314 | |||||
Three-Dimensional Interactions Analysis of the Anticancer Target c-Src Kinase with Its Inhibitors. | 2020 | Cancers | 12 | Jha V;Macchia M;Tuccinardi T;Poli G; | 2072-6694 | 10.3390/cancers12082327 | |||||
Discovery of Monoacylglycerol Lipase (MAGL) Inhibitors Based on a Pharmacophore-Guided Virtual Screening Study. | 2020 | Molecules | 26 | Jha V;Biagi M;Spinelli V;Di Stefano M;Macchia M;Minutolo F;Granchi C;Poli G;Tuccinardi T; | 1420-3049 | 10.3390/molecules26010078 | |||||
Computationally driven discovery of phenyl(piperazin-1-yl)methanone derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors. | 2019 | Journal of Enzyme Inhibition and Medicinal Chemistry | 34 | Poli G;Lapillo M;Jha V;Mouawad N;Caligiuri I;Macchia M;Minutolo F;Rizzolio F;Tuccinardi T;Granchi C; | 1475-6374 | 10.1080/14756366.2019.1571271 | |||||
Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors. | 2018 | International Journal of Molecular Sciences | 19 | Poli G;Jha V;Martinelli A;Supuran CT;Tuccinardi T; | 1422-0067 | 10.3390/ijms19071851 |