1. Mouna CHERIET, Fatiha MADI, Leila NOUAR, Ismahan LAFIFI, Safia HIMRI, Nora MERABET, Djameleddine KHATMI, “ A DFT Study of Inclusion Complexes of the Antituberculosis Drugs Pyrazinamide and Isoniazid with cucurbit [7]uril”, 89(2017) 127-136, Journal of inclusion phenomenon and macrocyclic chemistry

2. Moukhtari Abdelaali, Madi Fatiha , Nouar Leila, Merabet Nora, Cheriet Mouna,Haiahem Sakina, Khatmi Djamel Eddine, ” Computational approach in the study of the inclusion processes of Thymol with β-cyclodextrin”, 242 (2017) 714–721Journal of Molecular Liquids.  URL :



 1Mansour MOHAMED BOUNABA, KHATMI Djameleddine, Humbel Stephane, Rayenne DJÉMIL, MADI Fatiha, Nouar Leila ”Molecular dynamics and quantum mechanics study of the[2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex” 222 (2016) 777–782. ISSN:01677322.Volume 222. Journal of Molecular Liquids.URL :

2.  Amal ZABOUB,,Fatiha MADI, Rachid MERDES, Messaouda MOHAMEDI, Leila NOUAR” A combined DFT and experimental study of proline/β-cyclodextrin inclusion complex” 216 (2016) 716–723ISSN:01677322. Journal of Molecular Liquids.URL :

3.  Lahcene Abdelmalek, MADI Fatiha, NOUAR Leila, Cherait Mouna, MERABAT Nora, KHATMI Djameleddine” Computational study of inclusion complex formation between carvacrol and β-cyclodextrin in vacuum and in water: Charge transfer, electronic transitions and NBO analysis ” 224 (2016) 62–71.ISSN:01677322.Journal of Molecular Liquids. URL :


1MADI Fatiha, BOUNEFLA FaizaKIRATI Ichraf, NOUAR Leila, KHATMI Djameleddine.” TD-DFT Calculations of Visible Spectra and Structural Studies of Carbendazim Inclusion Complex with Cucurbit '7' Uril” 50 (2015) 37–42. ISSN: 1876-1070. Journal of the Taiwan Institute of Chemical Engineers.URL :

2MERABET Nora, MADI Fatiha, NOUAR Leila, HAIAHEM Sakina, KHATMI Djameleddine,YOUGHOURTA Belhocine.“ Density functional study of inclusion complex of Albendazole/cucurbit [7]uril: Structure, electronic properties, NBO, GIAO and TD-DFT analysis”. 211 (2015) 40–47. Journal of Molecular Liquids. URL :

3.   ZEKRI Kamel Eddine, MADI Fatiha, ZABOUB Amel, NOUAR Leila, MERDES Rachid. ” Investigation of the Inclusion Complex of Tolfenamic Acid With β- Cyclodextrin: Geometry and NBO  Analysis ” 18(2015) 193-198. ISSN: 1631-0748.Comptes Rendus Chimie.URL

4Imene DJILANI, Fatiha MADI , Sakina HAIAHEM, Mouhamed RAHIM, Djameleddine KHATMI , Abdelaziz BOUHADIBA.” Theoretical Investigation to Characterize the Inclusion Complex of α-Lipoic Acid and β- Cyclodextrin ” 18 (2015),170-177. ISSN: 1631-0748.Comptes Rendus Chimie.URL

5. A. Antony Muthu Prabhu, G.S. Suresh Kumar, Madi Fatiha, S. Sorimuthu M. Sundar Raj, “Encapsulation of phenylalanine and 3,4-dihydroxyphenylalanine into β -cyclodextrin: Spectral and molecular modeling studies”. 1079 (2015) 370–382.  Journal of Molecular Structure. URL :http:// www.



1.   I. Djilani, L. Nouar, F. Madi, S. Haiahem, A. Bouhadiba,and D.Khatmi.” Chapter 15- Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by β- Cyclodextrin”. 68 (2014),279-291. ISSN: 1097-461X . Journal of Quantum Chemistry.URL

2.   M. Rahim, F. Madi, L. Nouar, S. Haiahem, D. Fateh and D. Khatmi.” Chapter 14- β- Cyclodextrin Interaction with Edaravone Molecular Modeling Study”. 68 (2014),269-278. ISSN: 1097-461X. Journal of Quantum Chemistry. URL :

3.  Mouhamed Rahim, Fatiha Madi, Leila Nouar, Abdelazize Bouhdiba, Sakina Haiahem, Djemeleddine Khatmi,YoughourtaBelhocine.“Driving Forces and Electronic Structure in β- Cyclodextrin/3,3΄Diaminodiphenylsulphone Complex”.199 (2014), 501-510. Volume 199, Journal of Molecular Liquids. URL :

 4.   Largate Leila, Madi Fatiha, Khatmi Djameleddine and Nouar Leila.“Investigation of the Inclusion Processes of N-Acetyl-4-Aminophenol with Me- β- Cyclodextrin;AComputationalStudy”.45(2014),387-392, . ISSN: 1876-1070. Journal of the Taiwan Institute of Chemical Engineers. URL :



1Sakina HIAHEM, Leila NOUAR, Imen DJILANI, Abdelaziz BOUHDIBA, Fatiha MADI and KHATMI Djameleddine,"Host-Guest complex between b-cyclodextrin and paeonol: a theoretical approach".16 (2013) 372-379. ISSN: 1631-0748.  Comptes Rendus Chimie.URL :

2.  BOUHDIBA Abdelaziz, NOUAR Leila, HAIAHEM Sakina, DJILANI Imen, MADI Fatiha and KHATMI Djameleddine, "Theoretical investigation study based on PM3MM and ONIOM2 calculations of b cyclodextrin complexes with diphenylamine". 77 (2013) 455-462. ISSN :0923-0750. Journal of inclusion phenomenon and macrocyclic chemistry.

3DJILANI Imen, NOUAR Leila, MADI Fatiha, Bouhdiba Abdelaziz and KHATMI Djameleddine, "Inclusion complexes of ortho-anisidine and b-cyclodextrin: a quantum mechanics calculations".16 (2013) 696-703. ISSN: 1631-0748.Comptes Rendus Chimie.URL

4.  MADI Fatiha, KHATMI Djameleddine, NOUAR Leila and LARGATE Leila, "Computational study on the encapsulation of ethyl paraben into b-cyclodextrin". 76 (2013) 379-384. ISSN :0923-0750.Journal of inclusion phenomenon and macrocyclic chemistry.

5.  MADI Fatiha, KHATMI Djameleddine and LARGATE Leila,"Computational investigation of enol/ketol chlorampenicol with b-cyclodextrin".77 (2013) 421-427. ISSN :0923-0750. Journal of inclusion phenomenon and macrocyclic chemistry 



1.  MADI fatiha, LARGATE Leila, NOUAR Leila and KHATMI djameleddine, "Theoretical study of the inclusion processes of ethyl p-hydroxybenzoate with ß-cyclodextrin: PM3MM and ONIOM2 calculations".43 (2012) 868-872. . ISSN: 1876-1070. Journal of the Taiwan institute of chemical engineers.URL :

2HAIAHEM sakina, BOUHDIBA abdelaziz, NOUAR Leila, DJILANI Imen, MADI Fatiha and KHATMI djameleddine.”Molecular docking study on ß-cyclodextrin interactions of metobromuron and [3-(p-bromophenyl)-1-methoxy-1-methylurea]”. 74 (2012) 191-200. ISSN :0923-0750. Journal of inclusion phenomenon and macrocyclic chemistry.

3.  Nassima MALAM, Djameleddine KHATMI, Salah eddine AZZOUZ, Soraya BENGHODBANE and ATTOUI Ouassila Yahia, "Computational studies of 1:2 complex between retinol propionate and b cyclodextrin". 73 (2012) 305-312. ISSN :0923-0750. Journal of inclusion phenomenon and macrocyclic chemistry