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النظام الوطني للتوثيق الإلكتروني

Système National de Documentation en Ligne

Equipes de Recherche 2

Equipes de Recherche 2

B)Equipe 2 : Chimie informatique et pharmaceutique

 B.1 Chef d’équipe : Prof. Salah Belaidi

Nom & Prénom

Dernier Diplôme

Grade

Spécialité

Structure de rattachement

 

Boumedjane Youcef 

Doctorat

MC-A

Chimie théorique

Univ- Biskra

Melkemi Nadjib 

Doctorat

 MC-A

Chimie informatique et pharmaceutique

Univ- Biskra

Harkati Dalal

Doctorat

MC-A

Chimie informatique et pharmaceutique

Univ- Biskra

Melaoui Malika

Doctorat

 MC-B

Chimie informatique et pharmaceutique

Univ- Biskra

Youcef Oumhani

Doctorat

 MC-B

Chimie informatique et pharmaceutique

Univ- Biskra

Ouassaf Mebarka

Magister

 MA-A

Chimie informatique et pharmaceutique

Univ- Biskra

Khamouli Saida

Magister

 MA-A

Chimie informatique et pharmaceutique

Univ- Biskra

Chadli Abdelhakim

Magister

MA-A

Chimie théorique

Univ- Biskra

Almi Zineb

Doctorat LMD

 MA-B

Chimie informatique et pharmaceutique

Univ- Biskra

 

 

Encadrement

 

Thèse de doctorat soutenu

01

Melkemi Nadjib 

02

Harkati Dalal

03

Melaoui Malika

04

Mazri Radhia

05

Youcef Oumhani

06

Rouahna Yasmina

07

Bouchelaleg Lazhar

08

Almi Zineb

09

Kerassa Aicha

10

Belaidi Houmam

11

Salah Toufik

12

Benbrahim Imene

Thèse de doctorat en cours

01

Ouassaf Mebarka

02

Khamouli Saida

03

Bouderga Samia

04

Zitouni Karima

05

Lehraki Faiza

06

Zekri Afaf

07

Alloui Mebarka

08

Hazhazi Halima

09

Almi Imene

10

Zeroug Anfel

11

Ghamri Mariem

12

Djebaili Rachida

     

 

Publications internationales

1. Conformational Analysis and Physical-Chemistry Property Relationship for 22-Membered Macrolides,  Asian Journal of Chemistry, Vol. 25, No. 8 (2013), pp.4527-4531

2. Theoretical Studies of molecular structure, vibrational spectra and substitution effect on the electronic structure of indole,  Research Journal of Pharmaceutical and Chemical Sciences, Vol. 4 (3), 2013, pp. 1220 – 1234

3. Electronic Structure and Physical-Chemistry Property Relationship for thiazole Derivatives, Asian Journal of Chemistry, Vol. 25(16), 2013, pp 9241-9245

4. Structure-Property Relationships and QSAR Modeling of Detoxication Properties of some 1,2-Dithiole-3-thione Derivatives; Journal of Computational and Theoretical Nanoscience   11, 801-806 (2014)

5. Electronic Structure and physical-chemistry property relationship for Cephalosporin derivatives, Quantum Matter 3, 435-441 (2014)

6. Electronic structure and physical-chemistry conductivity relationship for new conducting polymers by quantum calculations, Mitteilungen Klosterneuburg, vol 64, 68- 83, 2014,

7. Molecular structure, vibrational and electronic properties of 4-phenyl-3H-1,3-thiazol-2-ol using density functional theory and comparison of drug efficacy of keto and enol forms  by QSAR Analysis, Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyVol 132,  Pages 568-581, 2014

8. Electronic Structure and effect of methyl substitution in oxazole and thiazole by quantum chemical calculations,  Journal of Pharmaceutical and Chemical Sciences, vol 5(3), Pages 811-818, 2014

9. Structure Activity Relationships, QSAR Modeling and Drug-like calculations of TP inhibition of 1,3,4-oxadiazoline-2-thione Derivatives, International Letters of Chemistry, Physics and Astronomy, 2014 vol 18( 37). Pages 113-122,

10. Electronic Structure and Physical-Chemistry Properties Relationship for Phenothiazine Derivatives by Quantum Chemical Calculations,Journal of Computational and Theoretical Nanoscience, Vol. 11, 2481-2488 (2014)

11. Conformational Analysis, Substituent Effect and Structure activity Relationships of 16-Membered Macrodiolides,International Letters of Chemistry, Physics and Astronomy, 2014; 14(2):146-167.

12. Computational Methods Applied in Physical-Chemistry property Relationships of Thiophene Derivatives, Journal of Computational and Theoretical Nanoscience,  Vol 12 1737-1745 (2015)

13. SAR and QSAR Modeling of some 3-(aryl)-N-(aryl)-1, 2, 4-oxadiazol-5-amine Derivatives as Anti-proliferative Agents,  Journal  of Computational and Theoretical Nanoscience, vol  12, 2127-2133 (2015)

14. Structural Exploration and QSAR Properties for 1.2.5-Oxadiazole Derivatives , Rev. Theor. Sci. 3, 264-272 (2015)

15. SAR and QSAR Modeling of Antitrypanosomal Activities of Alkyldiamine Cryptolepine Derivatives  , Journal of Computational and Theoretical Nanoscience, 12, 2421-2427 (2015)

16. Molecular geometry, electronic properties, MPO methods and structure activity/property relationship studies of 1,3,4-thiadiazole derivatives by theoretical calculations , Reviews in theoretical science,   3, 355-364 (2015) ,  

17. A DFT-based QSARs of some 1,2-Dithiole-3-thione Derivatives as Inducers of Quinine Reductase ,  Journal of Pharmaceutical, Biological and Chemical Sciences, 2015, 6(2) Page. 2017-2024

18. In silico evaluation of Molecular Structure, Vibrational Spectra and Substitution Effect of Hydantoin, Journal of Pharmaceutical and Chemical Sciences, 2015, 6(2) Page. 861-873

19. Quantitative Structure Activity Relationship Study for Development of Plasmin Inhibitors Controlled by the Spacer Hydantoin , Journal of Computational and Theoretical Nanoscience, 12, 3949-3955 (2015)

20.  Qualitative QSAR studies, Electronic Structure, Drug likeness of 1,2-dithiole-3-one Derivatives ; Journal of Computational and Theoretical Nanoscience,  12, 4233-4241 (2015)

21.  In silico Approach for Conformational Analysis, drug-likeness properties and Structure activity Relationships of 12-Membered Macrolides , Journal of Computational and Theoretical Nanoscience, vol 12 (11), 4855-4861 (2015)

22. Structure Activity Relationship and QSAR Modeling of Cyto-toxicity of Phenothiazine Derivatives,  Quantum Matter 5, 124-129 (2016)

23. Molecular structure, substituent effect and physical-chemistry property relationship of indole derivatives,  Quantum Matter , 5, 36-44 (2016)

24. Investigations on Molecular Structure, Electronic Properties, NLO Properties and Comparison of  Drug-likeness of  Triazolothiadiazole Derivatives by Quantum methods and QSAR Analysis ; Reviews in theoreticcal science,  4, 85-96 (2016) .

25. Computational study of structure-property relationships  for  1,2,4-oxadiazole-5-amine derivatives,  Quantum Matter 5, 45-52 (2016)

26.  Molecular modeling of photochemical and thermal sigmatropic hydrogen migration in the formation of tautomeric forms of some biomolecules in DNA  , Quantum Matter  vol 4, (2016) Quantum Matter 5, 622-628 (2016)

27. Predictive Qualitative Structure-Property / Activity Relationships for Drug Design in some of Antimycobacterial Pyrrole derivatives , Quantum Matter 5, 798-805 (2016).

28. In Silico Investigation By Conceptual DFT And Molecular Docking Of Antitrypanosomal Compounds For Understanding Cruzain Inhibition,  Journal Of Theoretical And Computational Chemistry, Vol. 15, 1650021 (2016)

29.Computational study of molecular electrostatic potential, Drug likeness screening and Structure-Activity/Property Relationships of thiazolidine-2,4-dione derivatives, J. Bionanosci. 10, 118-126 (2016)

30. Vibronic coupling to simulate the phosphorescence spectra of Ir(III)-based OLED systems: TD-DFT results meet experimental data, J.Mol.Model., (2016) 22:265-272

31. Structural Investigation, Drug Likeness Scoring and Structure Activity/Property Relationships applied On 1,2,3-Thiadiazole Derivatives, With Kinase Inhibitors Activity ; Revue Roumaine de Chimie ; 2017, 62(1), 81-92

 32. Property/activity Relationships and drug likeness for Pyrimidine Derivatives as serine/threonine  protein  kinase  B  Inhibitors , J. Bionanosci. 11, 301–309 (2017)

33. Molecular Docking Studies and ADMET Properties of New 1.2.3 Triazole Derivatives for Anti-Breast Cancer Activity, J. Bionanosci. 12, 26–36 (2018)

34. QSAR Studies of 1,2,5-Thiadiazole Derivatives Analogues of Aceclidine as Potent M1 Muscarinic Agonists , J. Bionanosci. 12, 119–126 (2018)

35. Imidazole derivatives as angiotensin II AT1 receptor blockers: Benchmarks, drug-like calculations and quantitative structure-activity relationships modeling, Chemical Physics Letters, 696 (2018) 70–78