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Dr. Umesh Yadava

Professor, Department of Physics
1 MScPhysicsDDU Gorakhpur University, Gorakhpur1999
2 PhDX-Ray crystallographic and theoretical studies on some aromatic compounds of biological significance DDU Gorakhpur University Gorakhpur 2010
  • X-Ray Crystallography
  • Molecular modeling
  • Electronics
S.NO.DesignationCollege/InstituteFromToTotal Exp.
1 LecturerM G P G College, Gorakhpur07/03/2001 19/09/2003 2 Years 6 Months
2 Lecturer/ Senior LecturerDDU Gorakhpur University, Gorakhpur20/09/2003 06/03/2010 6 Years 6 Months
3 ReaderDDU Gorakhpur University, Gorakhpur07/03/2010 06/03/2013 3 Years 0 Months
4 Associate ProfessorDDU Gorakhpur University, Gorakhpur07/03/2013 06/03/2016 3 Years 0 Months
5 ProfessorDDU Gorakhpur University, Gorakhpur07/03/2016 27/06/2022 (Till) 6 Years 3 Months


UG Experience: 19 Year(s)
  • Electricity and Magnetism
  • Electronics
  • Mathematical Physics
  • Quantum Mechanics

PG Experience: 17 Year(s)
  • Electronics
  • Solid State Physics
  • Nuclear Physics
  • Quantum mechanics


Total Research Experience: 19
  • X-Ray Crystallography
  • Molecular modeling
  • Electronics
1 Guggulsterone E, alipid-lowering agent from Commiphora mukul, S. Sarkhel, Umesh Yadava, P.Prakas, G. K. Jain, S. Singh and P. R. Maulik, Acta Cryst. (2001) E57, o285-o286.
2 A taxane diterpenoidfrom the needles of Taxus Wallichiana, S.K. Chattopadhyay, A. Sharon, Umesh Yadava, S. Srivastava, V.K. Mehtaand P.R. Maulik, Acta Cryst. (2001) E57, o1158-o1160.
3 A taxane diterpenoidfrom the heartwood of Taxus Wallichiana, S.K. Chatopadhyay, A. Sharon, Umesh Yadava, S. Srivastava, V.K. Mehtaand P. R. Maulik, Acta Cryst. (2002) E58, o154-o155.
4 Unusual molecularconformation in dissymmetric propylene linker compounds containingpyrazolo[3,4-d]pyrimidine and phthalimide moieties, K. Avasthi, D. Bhagat, C.Bal, A. Sharon, Umesh Yadava and P.R. Maulik, Acta Cryst. (2003) C59, o409-o412.
5 Facile synthesis of2-arylbenzo[b]furans through unusual acid catalysed 1,2-elimination, A. K. Jha,P. C. Sharma, P. R. Maulik, Umesh Yadava& K. Hajela, Ind. J. Chem. (2004)43B, 1341-1344.
6 Fine tuning of foldedconformation by change of substituents : 1H NMR and crystallographicevidence for folded conformation due to arene interactions inpyrazolo[3,4-d]pyrimidine core based ‘propylene linker compounds’, K. Avasthi,S. Aswal, R. Kumar, Umesh Yadava, D.S. Rawat and P. R. Maulik, J. Mol.Struct. (2005) 750, 179-185.
7 5,8-diethyl-6,9-dithioxo-2,3,5,6,8,9-hexahydro-1H-3a,5,8,9a-tetraazaphenalene-4,7-dione,Umesh Yadava, Atul Goel, V. J. Ramand P. R. Maulik., Acta Cryst. (2006)E62, o4991-o4993.
8 Crystal structureanalysis of (2,3-dihydro-3-hydroxy-2-phenylbenzo[b]furan-2-yl)(4-methoxyphenyl)methanone , Umesh Yadava*, M. Roychoudhury and P. R. Maulik,  J.Curr. Sci. (2008) 12(2),723-728
9 Theoretical investigations on molecular structureand IR frequencies of 4-n-nonyl-4¢-cyanobiphenyl in light of experimental results, Umesh Yadava*,Dinesh K. Gupta and Mihir Roychoudhury, J.Mol. Liq. (2010) 156, 187-190.
10 Gas-phaseconformational and intramolecular π-π interaction studies on somepyrazolo[3,4-d]pyrimidine derivatives, Umesh Yadava*, Maheshwer Singh, MihirRoychoudhury, Comput. Theor. Chem.(2011) 977, 134–139.
11 A comparison ofcrystallographic and DFT optimized geometries on two taxane diterpenoids anddocking studies with phospholipase A2, Umesh Yadava*, Hariom Gupta & MihirRoychoudhury, Med. Chem. Res. (2012) 21(9),2162-2168.
12 2,2′-Bipyridyl-acetylphenolatomixed ligand copper(II) complexes: Syntheses, characterizations and catalyticactivity in styrene epoxidation, Shyamapada Shit, Umesh Yadava, Debraj Saha,Roland Frohlich, J. Coord. Chem.(2013) 66(1), 66-76
13 Pyrazolo[3,4-d]pyrimidinesas inhibitor of anti-coagulation and inflammation activities of phospholipaseA2 : insight from molecular docking studies, Umesh Yadava*, Maheshwer Singh& Mihir Roychoudhury, J. Biol. Phys.(2013) 39, 419-438
14 Molecular dynamics simulation of DNA duplex, analog of PPT (polypurinetract), its conformation and hydration: a theoretical study. Ramesh Kumar Yadav& Umesh Yadava*, Med. Chem. Res.(2014) 23, 280-286.
15 Synthesis, spectralcharacterization and antimicrobial studies of nano-sized oxovanadium(IV)complexes with Schiff bases derived from 5-(phenyl/substitutedphenyl)-2-hydrazino-1,3,4-thiadiazole and indoline-2,3-dione, M.K. Sahani, U. Yadava,O.P. Pandey, S.K. Sengupta. Spectrochimica Acta Part A: Mol. Biomol. Spect. 125 (2014) 189–194.
16 Determination ofdistances and sizes of visible objects using a plane transparentglass plate, Arvind Kumar Pandey and Umesh Yadava*, Results in Phys. 4 (2014) 83-87.
17 Molecular modeling and structural studies of 12-mer immobile four-way DNA junction in solution, Ramesh Kumar Yadav and UmeshYadava*, Bioinformation 10(7) (2014)86-97.
18 Docking and Molecular Dynamics Simulations ofPyrazolo[3,4-d]Pyrimidine-DNA Complexes, Umesh Yadava, Hariom Gupta, RameshKumar Yadav, and Mihir Roychoudhury, AdvancedScience Letters, 20, 1637–1643, 2014
19 In-SilicoDocking Studies of Some Pyrazolo[3,4-D]pyrimidine Derivatives: A Novel Inhibitor of Mycobacterium Tuberculosis,Bindesh Kumar Shukla and Umesh Yadava, Int J Res Eng Biosc 2(5)(2014) 48-56.
20 Stabilization of Microtubules by Taxane Diterpenoids: Insight from Docking and MD simulations, Umesh Yadava, Hariom Gupta & Mihir Roychoudhury, J Biol Phys (2015) 41:117–133
21 Synthesis, QSAR and anticandidal evaluation of 1,2,3-triazoles derived from naturally bioactive scaffolds, Mohammad Irfan, Babita Aneja, Umesh Yadava, Shabana I. Khan, Nikhat Manzoor, Constantin G. Daniliuc, Mohammad Abid. Eur. J. Med. Chem. 93 (2015) 246-254
22 Pyrazolo[3,4-d]pyrimidines as novel inhibitors of O-acetyl-L-serine sulfhydrylase of Entamoeba histolytica: an in silico study, Umesh Yadava, Bindesh Kumar Shukla, Mihir Roychoudhury, Devesh Kumar, J Mol Model (2015) 21: 96
23 Diketo acids and their amino acid/dipeptidic analogues as promising scaffolds for the development of bacterial methionine aminopeptidase inhibitors, Mir Mohammad Masood, Vijay K. Pillalamarri, Mohammad Irfan, Babita Aneja, Mohamad Aman Jairajpuri, Md. Zafaryab, M. Moshahid A. Rizvi, Umesh Yadava, Anthony Addlagatta and Mohammad Abid. RSC Adv., 2015, 5, 34173
24 Monocyclic b-lactam and unexpected oxazinone formation: synthesis, crystal structure, docking studies and antibacterial evaluation, Babita Aneja, Mohammad Irfan, Md. Imtaiyaz Hassan, Amresh Prakash, Umesh Yadava, Constantin G. Daniliuc, Md. Zafaryab, M. Moshahid A. Rizvi, Amir Azam, and Mohammad Abid, J Enzyme Inhib Med Chem, (2015) DOI: 10.3109/14756366.2015.1058257
25 Pyrazolo[3,4-d]pyrimidines as the inhibitors of mycobacterial β-oxidation trifunctional enzyme, Umesh Yadava, Bindesh Kumar Shukla, Mihir Roychoudhury, Med Chem Res, 24 (2015) 4002-4015
26 Theoretical explorations on the molecular structure and IR frequencies of 3-phenyl-1-tosyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine in view of experimental results, Bindesh Kumar Shukla, Umesh Yadava, Mihir Roychoudhury, J. Mol. Liq. 212 (2015) 325–330
27 An unusual conformational change in the folded trimethylene/Leonard linker pyrazolo[3,4-d]pyrimidine analogue of the theophylline compound due to structural changes, K. Avasthi, Ruchir Kant, S. Aswal, A. K. Tewari, Umesh Yadava, U. D. Misra and P. R. Maulik, Journal of Structural Chemistry. 56(7) (2015) 1437-1440
28 Molecular dynamics simulation of microtubule and its inhibitor complexes:in silico search for anticancer drugs, Umesh Yadava, Hari Om Guptaand Ramesh Kumar Yadav, IntJ Res Eng Biosci 3(5) (2015) 42-52.
29 Molecular dynamics simulation of hydrated d(CGGGTACCCG)4 as a four-way DNA Holliday junction and comparison with the crystallographic structure, Ramesh Kumar Yadav and Umesh Yadava, Molecular Simulation, 2016, 42, 25-30
30 Synthesis and Crystal Structure Analysis of Monocyclic β-Lactam Derivatves, Alam S, Hasan P, Aneja B, Md Ahmad B, Yadava U, Daniliuc CG and Abid M, Structural Chemistry & Crystallography Communication, 2 (2016) 19
31 Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine, Umesh Yadava, Matthew W. Vetting, Nawar Al Obaidi, Michael S. Carter, John A. Gerlt and Steven C. Almo, Acta Cryst. (2016). F72, 467–472
32 QSAR Study of Some Pyrazolo[3,4-d]pyrimidine Derivatives as the c-Src Inhibitors, Bindesh Kumar Shukla and Umesh Yadava, AIP Conf. Proceed 1728 (2016) 020320: 1-4. DOI: 10.1063/1.4946371
33 Efficient synthesis of novel N-substituted 2- carboxy-4-quinolones via lithium bis(trimethylsilyl) amide (LiHMDS)-induced in situ cyclocondensation reaction, Phool Hasan, Babita Aneja, Mir M. Masood, Md. Belal Ahmad, Umesh Yadava, Constantin G. Daniliuc and Mohammad Abid, RSC Adv., 2017, 7, 11367-11372
34 Novel anti-tubulin agents from plant and marine origins: insight from a molecular modeling and dynamics study. Umesh Yadava, Vivek Kumar Yadav and Ramesh Kumar Yadav. RSC Adv., 2017, 7, 15917-15925
35 Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties, Mir Mohammad Masood, Phool Hasan, Shams Tabrez, Md Bilal Ahmad, Umesh Yadava, Constantin G Daniliuc, Yogesh A Sonawane, Amir Azam, Abdur Rub, Mohammad Abid, Bioorganic & Medicinal Chemistry Letters, 2017, 27(9), 1886-1891
36 Effect ofPolarization of Ligand Charges and Estimation of MM/GBSA Binding Free Energiesof Some Pyrazolo[3,4-d]pyrimidine Inhibitors of Mycobacterium Tuberculosis inView of Experimental Results. Bindesh Kumar Shukla, Umesh Yadava, Current Enzyme Inhibition, 13 (2017) 1-9.DOI: 10.2174/1573408013666170113120426.
37 Electronic structure,vibrational assignments and simulation studies with A/T rich DNA duplex of anaromatic bis-amidine derivative. Umesh Yadava, Sanjai Kumar Yadav, Ramesh KumarYadav, DNA Repair, 60 (2017) 9-17
38 Study of the heatingeffect on the vitamin C of citrus fruits, Seema and Umesh Yadava, Int. J. Food Allied Sciences, 3(1) (2017) 36-42
39 Co-chaperon p23inhibitors: Identification of anticancer compounds from traditional Chinesemedicine database, Vivek Dhar Dwivedi, Arpita Dwivedi, Manas Mishra, UmeshYadava, Sarad Kumar Mishra, Gene Reports 10 (2018) 135–140
40 Ribonucleotidereductase as a drug target against drug resistance Mycobacterium leprae: Amolecular docking study, Partha Sarathi Mohanty, Avi Kumar Bansal, Farah Naaz,Umesh Datta Gupta, Vivek Dhar Dwivedi, Umesh Yadava, Infection, Genetics and Evolution, 60 (2018) 58–65
41 Natural product based1,2,3-triazole/ sulfonate analogues as potential chemotherapeutic agent forbacterial infections,  Babita Aneja, Mudsser Azam, Shadab Alam, AhmadPerwez, Ronan Maguire, Umesh Yadava, Kevin Kavanagh, Constantin G. Daniliuc, M.Moshahid A. Rizvi, Qazi Mohd. Rizwanul Haq, Mohammad Abid, ACS Omega, 2018, 3(6), 6912-6930
42 In silico docking ofquercetin-3-O-β-D-glucoside from Azadirachta indica with NS2B-NS3 protease inDengue virus, Vivek Dhar Dwivedi, Indra Prasad Tripathi, Ramesh ChandraTripathi, Ravindra Singh, Umesh Yadava and Sarad Kumar Mishra, Online Journal of Bioinformatics, 2018,19 (2):175-180
43 Search algorithms andscoring methods in protein-ligand docking, Umesh Yadava, Endocrinol. Metab. Int. J., 2018, 6(6), 359-367
44 Synthesis andmechanistic studies of diketo acids and their bioisosteres as potentialantibacterial agents, Phool Hasan, Vijay K Pillalamarri, Babita Aneja, MohammadIrfan, Mudsser Azam, Ahmad Perwez, Ronan Maguire, Umesh Yadava, Kevin Kavanagh,Constantin G Daniliuc, Md Belal Ahmad, M Moshahid A Rizvi, Qazi Mohd RizwanulHaq, Anthony Addlagatta, Mohammad Abid, Eur. J. Med. Chem. 2019, 163,67-82
45 Investigations onbisamidine derivatives as novel minor groove binders with the dodecamer5′(CGCGAATTCGCG)3′. Umesh Yadava, Sanjai Kumar Yadav, Ramesh Kumar Yadav, Journal of Molecular Liquids. (2019), 280,135-152.
46 Investigation of DNAbinding and molecular docking propensity of phthalimide derivatives: in vitroantibacterial and antioxidant assay. Rizwan Arif, Pattan Sirajuddin Nayab,Mohammad Abid, Umesh Yadava, Rahisuddin. Journalof Analytical Science and Technology. 2019, 10(1), 19
47 Evaluation ofcaffeine as inhibitor against collagenase, elastase and tyrosinase using insilico and in vitro approach. KyungEun Lee, Shiv Bharadwaj, Umesh Yadava & Sang Gu Kang, Journal of Enzyme Inhibition and Medicinal Chemistry, 2019, 34(1),927–936
48 Computational aidedmechanistic understanding of Camellia sinensis bioactive compounds against cochaperone p23 as potential anticancer agent.Shiv Bharadwaj, Kyung Eun Lee,  VivekDhar Dwivedi, Umesh Yadava, Sang Gu Kang. J. Cell. Biochem. 2019, 120, 19064-19075
49 Discovery ofGanoderma lucidum triterpenoids as potential inhibitors against Dengue virusNS2B-NS3 protease. Shiv Bharadwaj, Kyung Eun Lee, Vivek DharDwivedi, Umesh Yadava, Aleksha Panwar, Stuart. J. Lucas, Amit Pandey, Sang GuKang. Scientific Reports, 9 (2019) 19059,https://www.nature.com/ articles/s41598-019-55723-5
50 Computationalinvestigations and molecular dynamics simulations envisioned for potentantioxidant and anticancer drugs using indole-chalcone-triazole hybrids. SanjaiKumar Yadav, Ramesh Kumar Yadav, Umesh Yadava, DNA Repair 86 (2020) 102765.
51 Anti-dengueinfectivity evaluation of bioflavonoid from Azadirachta indica by dengue virusserine protease inhibition, Vivek Dhar Dwivedi, Shiv Bharadwaj, Sumbul Afroz,Nooruddin Khan, Mairaj Ahmed Ansari, Umesh Yadava, Ramesh Chandra Tripathi,Indra Prasad, Tripathi, Sarad Kumar Mishra & Sang Gu Kang, Journal of Biomolecular Structure andDynamics, 2020, DOI: 10.1080/07391102.2020.1734485
52 Structure-basedscreening and validation of bioactive compounds as Zika virusMethyltransferase(MTase) inhibitors through first-principle density functionaltheory, classical molecular simulation and QM/MM affinity estimation, ShivBharadwaj,Akhilesh Kumar Rao,Vivek Dhar Dwivedi, Sarad Kumar Mishra, Umesh Yadava, Journalof Biomolecular Structure and Dynamics, https://doi.org/10.1080/07391102.2020.1747545
53 Density functionaltheory and molecular dynamics simulation support Ganoderma lucidumtriterpenoids as broad range antagonist of matrix metalloproteinases. Sang GuKang, Shiv Bharadwaj, Kyung Eun Lee, Vivek Dhar Dwivedi, Umesh Yadava, MatthiasNees. Journal of Molecular Liquids 311(2020) 113322.  https://doi.org/10.1016/j.molliq.2020.113322
54 Speculative analysison the electronic structure, IR assignments and molecular docking ofN-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide,an anti-amoebic agent. Bindesh K Shukla, Umesh Yadava, Heliyon, 6(6), (2020) e04176
55 Electronic structureand vibrational assignments of 2,5-bis[4-(ncyclobutyldiaminomethyl)phenyl]furan,Sanjai Kumar Yadav, Garima Yadav and Umesh Yadava, IOP SciNotes, 1(2), (2020), 024005
S.NO.Title of the bookTitle of the chapterNational / internationalYear of PublicationISBN NumberAffiliating InstituteAffiliating InstituteName of the publisher
1 Theoretical and Computational Advances: From Atoms to Molecules to MaterialsX-Ray Crystallographic Structure DeterminationInternational2017978-93-5196-507-7Deen Dayal Upadhyaya Gorakhpur UniversityDeen Dayal Upadhyaya Gorakhpur UniversitySelf Publishing, Lucknow, India
S.NO.Title of the bookEditionAuthor(s)ISBN numberYear of publicationPublisherName of the publisher
1 X-ray Crystallographic and Theoretical Investigations on Aromatic Compounds.1Umesh Yadava, Mihir Roychoudhury978-3-8443-0404-62011InternationalLAP Lambert Academic Publishing GMBH and Co., Germany
2 Effect of Heat Processing on the Vitamin-C of Some Fruits1Seema and Umesh Yadava978-3-6591-1924-82011InternationalLAP Lambert Academic Publishing GMBH and Co., Germany
3 Synthesis, Characteriztion and application of Mn(III) complex compounds. 1Seema, Sudha Yadava and Umesh Yadava978-3-6591-3004-52012InternationalLAP Lambert Academic Publishing GMBH and Co., Germany
4 Investigations on medicinal attributes of pyrazolo[3,4-d]pyrimidines1Umesh Yadava,Maheshwer Singh, Mihir Roychoudhury978-36596-2262-52016InternationalLAP Lambert Academic Publishing GMBH and Co., Germany
5 A Text Book of Mechanics1R.B. Singh, Umesh Yadava, A.K. Dwivedi, S.A. Khan978-81-932123-3-22016NationalKanha Publishing House, Gorakhpur
6 A Text Book of Electricity and Magnetism1R.B. Singh, Umesh Yadava, J.P. Pandey, V.P. Srivastava, Indrajeet Mishra, U.S.P. Yadav978-81-932123-4-92017NationalKanha Publishing House, Gorakhpur
7 A Text Book of mathematical physics and classical mechanics 1R.B. Singh, Umesh Yadava, A.K. Dwivedi, S.A. Khan978-81-934553-9-52018NationalKanha Publishing House, Gorakhpur
S.NO.Title of the proceedingsConference NameNational / internationalYear of PublicationISBN/ISSN NumberAffiliating Institute
1 Proceedings of Emerging Interfaces of Physics and TechnologyEmerging interfaces of Physics and TechnologyNational284-289978-93-81361-31-3Deen Dayal Upadhyaya Gorakhpur University
2 Proceedings of Emerging Interfaces of Physics and TechnologyEmerging interfaces of Physics and TechnologyNational290-296978-93-81361-31-3Deen Dayal Upadhyaya Gorakhpur University
3 Proceedings of International Interdisciplinary Science Conference 2011International Interdisciplinary Science Conference 2011International2(2) (2011) 622229-7707Deen Dayal Upadhyaya Gorakhpur University
4 Proceedings of National Conference on Nanomaterial and Renewable Energy sourcesNational Conference on Nanomaterial and Renewable Energy sourcesNational(2014) A220, 504-506978-93-81212-65-3Deen Dayal Upadhyaya Gorakhpur University
5 Proceedings of nanotechnology and material sciencenanotechnology and material scienceNational(2014), 383-386978-93-84224-01-1Deen Dayal Upadhyaya Gorakhpur University
6 Bindesh Kumar Shukla and Umesh YadavaNational conference On Recent Advances in Chemical and Material SciencesNational(2015) 23-24978-93-84224-25-7Deen Dayal Upadhyaya Gorakhpur University
7 Acta Crystallographica AInternational Union of CrystallographyInternational(2017), A70, C1562053-2733Deen Dayal Upadhyaya Gorakhpur University
Board of Studies (PHYSICS), DDU Gorakhpur University, Gorakhpur
Faculty of Science, DDU Gorakhpur University, Gorakhpur
Academic Council, DDU Gorakhpur University, Gorakhpur
  • Currently Enrolled: 6
  • Awarded:              3

S.NO.Scholar NameThesis TitleYear of Award
1 Bindesh Kumar ShuklaModeling studies on some molecules of biological significance2016
2 Hariom GuptaComputational studies on the structure and dynamics of some bioactive molecules2017
3 Sanjai Kumar YadavModeling studies on some DNA minor groove binders2020

Administrative Responsibility

S.NO.DescriptionFromToYear & Month
1 Secretary, DDU Gorakhpur University Teachers Association15/07/2017Till Date5 Year 1 Month
2 Vice President, AthleticAssociation, DDU Gorakhpur University 15/07/2020Till Date2 Year 1 Month
3 Proctor01/06/200410/03/20051 Year 3 Month
4 Warden, Sant Kabir Hostel, DDU Gorakhpur University, Gorakhpur15/06/2021Till Date1 Year 0 Month

Awards & Fellowships

S.NO.TitleDescriptionAwarding Institute/BodyAward Date
1 Raman Research FellowshipRaman Research Fellowship for postdoctoral studies in USA, UGC, New Delhi10/04/2014

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