Dr.Sajjad Gharaghani

 

                         

 

                

   Sajjad Gharaghani, Ph.D.
    Assistant Professor
    Tel: (+98)-21-88993950
    Fax: (+98)-21-66404680 
    E-mail: s.gharaghani@ut.ac.ir 

    Website: http://lbd.ut.ac.ir         

 

           

 

                                                                                                                                                                                        

CV

 

 

Personal Records                                                

 

Education

 
 
Name: Sajjad Gharaghani
Date of Birth:23 Jan 1982              
Place of Birth: Semirom, Iran             
Marital Status: Married, 2 Children
Appointment:  Assistant Professor
                         Head of Department of Bioinformatics (2021-2023)
Office Address: Institute of Biochemistry and Biophysics, Department of Bioinformatics, Laboratory of Bioinformatics and Drug Design (LBD)
University of Tehran P.O.Box 1417614335 Tehran, Iran    
Telephone: 0098 21 88993950  
Fax: 0098 21 66956977           

E-Mail: s.gharaghani@ut.ac.ir
Web Site: http://lbd.ut.ac.ir/
Web Site: ibb.ut.ac.ir/gharaghani
 
Ph.D:
From:  Isfahan University of Technology, Isfahan, Iran (2013)
Major: Chemoinformatics
Thesis: Structure-based QSAR by using homology modeling, molecular docking and molecular dynamics simulation, and multi-target fragment based drug design for human SSAO and AChE.
M.Sc:
From: University of Mazandaran, Babolsar, Iran (2008)
Major: Analytical Chemistry (Chemometrics)
Thesis: A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes and prediction of selectivity coefficients of univalent anions for anion-selective electrode using support vector machine.
 

            

Publication Metrics

 

Publications

Citations

H-index

Web of Science

62

1084

18

Scopus

65

1192

18

Google Scholar

65

1432

18

 

Peer Review Metrics (Web of Science)

Verified Peer Reviews

305

Verified Editor Records

23

 

 

 

Research interests and project
•    Bioinformatics
•    Pharmacoinformatics
•    Systems Pharmacology
•    Computational Drug Design (ligand-based, structure-based and fragment-based)
•    Chemogenomics
•    Chemoinformatics
•    Computational Biology and Biological Networks
•    Chemometrics
•    Machine Learning Methods in Drug Discovery
•    Quantitative Structure-Activity Relationship (QSAR)

 

Publications

Full International Papers

Publications in ISI Journals:

65- S Ghiam, C Eslahchi, K Shahpasand, M Habibi-Rezaei, S Gharaghani* "Identification of repurposed drugs targeting significant long non-coding RNAs in the cross-talk between Diabetes Mellitus and Alzheimer's Disease" Scientific Reports (2022) 12(1), 18332

64- S Roosta, SM Hashemianzadeh, S Gharaghani, MH Karimi-jafari, "The interaction of a novel drug with β-secretase-1 and acetylcholinesterase: A Computational investigation from both dynamics and thermodynamics viewpoints" Iranian Journal of Chemistry and Chemical Engineering (IJCCE) (Accept)

63- Sh Ghiam, Ch Eslahchi, K Shahpasand, M Habibi-Rezaei, S Gharaghani* "Exploring the role of non-coding RNAs as potential candidate biomarkers in the cross-talk between Diabetes Mellitus and Alzheimer's Disease" Frontiers in Aging Neuroscience Alzheimer's Disease and Related Dementias (2022) 14, 955461

62- SZ Sajadi, MA Zare Chahooki, M Tavakol, S Gharaghani "Matrix factorization with denoising autoencoders for prediction of drug–target interactions"Molecular Diversity (2022) 

61- M Morovvati, R Sheikhpour, S Gharaghani* "Drug-target interaction prediction using reliable negative samples and effective feature selection methods" Journal of Pharmacological and Toxicological Methods, Volume 116,  2022, 107191 

60- Z Bastami, R Sheikhpour, P Razzaghi, A Ramezani, S Gharaghani* "Proteochemometrics Modeling for Prediction of the Interactions between Caspase Isoforms and their Inhibitors" Molecular Diversity (2022) 

59- F Sadeghkhani, Z Hajihassan, S Gharaghani "Identification of new potent agonists for toll-like receptor 8 by virtual screening methods, molecular dynamics simulation, and MM-GBSA" Journal of Biomolecular Structure and Dynamics, 2022

58- M Morovvati, R Sheikhpour, S Gharaghani* "BRNS + SSFSM-DTI: A hybrid method for drug-target interaction prediction based on balanced reliable negative samples and semi-supervised feature selection" Chemometrics and Intelligent Laboratory Systems (2022) 220, 104462

57- E Nazarshodeh, A Marashi, S Gharaghani* "Structural systems pharmacology: A framework for integrating metabolic network and structure-based virtual screening for drug discovery against bacteria" PLOS ONE (2021) 16(12 December), e0261267

56- F Shirafkan, S Gharaghani*, K Rahimian, R Sajedi, J Zahiri "Moonlighting protein prediction using physico-chemical and evolutional properties via machine learning methods" BMC Bioinformatics (2021)

55- T Shojazadeh,  L Zolghadr,  S JafarKhani,  S Gharaghani,  A Farasat,  H Piri,  N Gheibi "Biomolecular interactions and binding dynamics of inhibitor arachidonic acid, with tyrosinase enzyme" Journal of Biomolecular Structure and Dynamics (2021)

54- SZ Sajadi, MA Zare Chahooki, S Gharaghani, K Abbasi, "AutoDTI++: Deep unsupervised learning for DTI prediction by Autoencoders", BMC Bioinformatics (2021)  22(1), 204

53- M Eskandarzadeh, P Kordestani, S Pourmand, J Khalilifard, B Almassian,S Gharaghani*, "Inhibition of GSK_3β by iridoid glycosides of snowberry (Symphoricarpos Albus) effective in the treatment of Alzheimer's disease using computational drug design methods" Frontiers in Chemistry - Frontiers (2021)

52- N Moussa*, Hassan, Ahmad*, S Gharaghani "Pharmacophore model, docking, QSAR, and molecular dynamics simulation studies of substituted cyclic imides and herbal medicines as COX-2 inhibitors" Heliyon (2021)

51- H Mando, A Hasan, S Gharaghani* "Novel and predictive QSAR model for steroidal and nonsteroidal 5α-Reductase type II Inhibitors" Current Drug Discovery Technologies (2021)

50- E Izadpanah, S Riahi, Z Abbasi-Radmoghaddam, S Gharaghani,"A simple and robust model to predict the inhibitory activity of α-glucosidase inhibitors through combined QSAR modeling and molecular docking techniques" Molecular Diversity (2021)

49- S Jafaripour, S Gharaghani*, E Nazarshodeh, S Haider, A Saboury* "In silico drug repositioning of FDA-approved drugs to predict new inhibitors for alpha-synuclein aggregation" Computational Biology and Chemistry (2020)

48- S Ariaeenejad, F Jokar, P Hadian, L Ma'mani, S Gharaghani "An efficient nano-biocatalyst for lignocellulosic biomass hydrolysis: Xylanase immobilization on organically modified biogenic mesoporous silica nanoparticles" International Journal of Biological Macromolecules (2020) 164, 3462-3473

47- S Shabani, A Marashi*, S Gharaghani* "NDDSA: A network- and domain-based method for predicting drug-side effect associations" Information Processing and Management (2020)

46- R Sheikhpour, MA Sarram, S Gharaghani, MAZ Chahooki "A Robust Graph-based Semi-Supervised Sparse Feature Selection Method" Information Sciences (2020)

45- R Sheikhpour, S Gharaghani, E Nazarshodeh "Sparse feature selection in multi-target modeling of carbonic anhydrase isoforms by exploiting shared information among multiple targets" Chemometrics and Intelligent Laboratory Systems  (2020)

44- Z Abbasi-Radmoghaddam, S Riahi, S Gharaghani, M Mohammadi-Khanaposhtanai "Design of potential anti-tumor PARP-1 inhibitors by QSAR and molecular modeling studies" Molecular Diversity (2020)

43- N Vaghefinezhad, SF Farsani, S Gharaghani* "In Silico Drug-Designing Studies on Sulforaphane Analogues: Pharmacophore Mapping, Molecular Docking and QSAR Modeling", Current drug discovery technologies (2020)

42- M Rezaeinasab, A Benvidi, S Gharaghani*, S Abbasi, HR Zare, "Deciphering the inhibition effect of thymoquinone on xanthine oxidase activity using differential pulse voltammetry in combination with theoretical studies", Enzyme and microbial technology, (2019) 121 29-36

41-  M Rezaeinasab, A Benvidi, S Gharaghani, HR Zare "Chemometrics approaches based on electrochemical methods for the investigation of interaction between bovine serum albumin and carvacrol with the aim of its application to protein sensing" Journal of Electroanalytical Chemistry 845 (2019) 48-56

40-  M Rezaeinasab, A Benvidi, S Gharaghani, S Abbasi, HR Zare "Electrochemical investigation of the inhibition effect of carvacrol on xanthine oxidase activity merging with theoretical studies" Process Biochemistry 83 (2019) 86-95

39-  M Ghareghani, L Scavo, Y Jand, N Farhadi, H Sadeghi, A Ghanbari, S Mondello, D Arnoult, S Gharaghani*, K Zibara "Melatonin Therapy Modulates Cerebral Metabolism and Enhances Remyelination by Increasing PDK4 in a Mouse Model of Multiple Sclerosis" Frontiers in Pharmacology (2019) 10: 147

38-  M Esmaeelzadeh, P Salehi, M Bararjanian, S Gharaghani, "Synthesis of new triazole tethered derivatives of curcumin and their antibacterial and antifungal properties" Journal of the Iranian Chemical Society, Volume 16, Issue 3, (2019) 465–477

37-  S Abbasi, S Gharaghani*, A Benvidi, M Rezaeinasab, AA Saboury "An in-depth view of potential dual effect of thymol in inhibiting xanthine oxidase activity: Electrochemical measurements in combination with four way PARAFAC analysis and molecular docking insights" International journal of biological macromolecules.  119 (2018) 1298-1310.

36-  S Abbasi, A Benvidi, S Gharaghani*, M Rezaeinasab "Chemometric studies of thymol binding with bovine serum albumin: "A developing strategy for the successful investigation of pharmacological activity" Bioelectrochemistry, (2018)

35- E Nazarshodeh, R Sheikhpour, S Gharaghani*, MA Sarram "A novel proteochemometrics model for predicting the inhibition of nine carbonic anhydrase isoforms based on supervised Laplacian score and KNN regression" SAR and QSAR in Environmental Research 29 (6) (2018) 419-437.

34-  S Abbasi, S Gharaghani*, A Benvidi, M Rezaeinasab "Novel insights into the effect of folate–albumin binding on the transport of ascorbic acid as an anticancer agent: chemometric analysis based on combined spectroscopic and electrochemical studies" New Journal of Chemistry. 42 (2018) 11031-11045.

33-  A Abbasi Kajani Monireh Dehkhodaei, M Sahihi, H Amiri Rudbari, M Ariaeefar, S Gharaghani, R Azadbakht, S Taheri" Multi experimental and computational studies for DNA and HSA interaction of new nano-scale ultrasound-assisted synthesized Pd(II) complex as a potent anticancer drug" Journal of Molecular Liquids. 264 (2018) 386-397.

32-  S Abbasi, S Gharaghani*, A Benvidi, AM Latif "Identifying the novel natural antioxidants by coupling different feature selection methods with nonlinear regressions and gas chromatography-mass spectroscopy" Microchemical Journal. 139  (2018) 372-379.

31-  M Ariyaeifar,   H Amiri Rudbari, M Sahihi, Z Kazemi, A Abbasi Kajani, H Zali-Boeini, N Kordestani, G Bruno, S Gharaghani "Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study" Journal of Molecular Structure (2018)

30-  A Jamshidvand, M Sahihi, V Mirkhani, M Moghadam, I Mohammadpoor-Baltork, Sh Tangestaninejad, H Amiri Rudbari, H Kargar, R Keshavarzi, S Gharaghani "Studies on DNA binding properties of new Schiff base ligands using spectroscopic, electrochemical and computational methods: Influence of substitutions on DNA-binding" Journal of Molecular Liquids (2018) 253. 61-71.

29- S Abbasi, S Gharaghani*, A Benvidi, M Rezaeinasab "New insights into the efficiency of thymol synergistic effect with p-cymene in inhibiting advanced glycation end products: A multi-way analysis based on spectroscopic and electrochemical methods in combination with molecular docking study" Journal of Pharmaceutical and Biomedical Analysis (2018) 150.436-451

28- M Nami, P Salehi, M Dabiri, M Bararjanian, S Gharaghani, M Khoramjouy, A Al-Harrasi, M Faizi "Synthesis of Novel Nor sufentanil Analogues via a Four -component Ugi Reaction and in Vivo, Docking, and QSAR Studies of their Analgesic Activity" Chemical Biology & Drug Design (2018)

27- A Benvidi, M Rezaeinasab, S Gharaghani*, S Abbasi "Monitoring the protective ability of thymoquinone mixture with p-cymene against bovine serum albumin (BSA) glycation: MCR-ALS analysis based on combined spectroscopic and electrochemical methods" International Journal of Biological Macromolecules (2018)107. 2465-2474.

26-  M Dehkhodaei, M Sahihi, H Amiri Rudbari, S Gharaghani, R Azadbakht, S Taheri, A Abbasi Kajani "Studies of DNA- and HSA-binding properties of new nano-scale green synthesized Ni (II) complex as anticancer agent using spectroscopic methods, viscosity measurement, molecular docking, MD simulation and QM/MM" Journal of Molecular Liquids (2017) 248. 24-35

25-  A Benvidi, M Rezaeinasab, S Gharaghani*, S Abbasi, HR Zare "Experimental and theoretical investigation of interaction between bovine serum albumin and the mixture of caffeic acid and salicylic acid as the antioxidants" Electrochimica Acta (2017) 255 .428-441.

24-  E Nazarshodeh, S Gharaghani *"Toward a hierarchical virtual screening and toxicity risk analysis for identifying novel CA XII inhibitors" Biosystems. (2017) 162 .35–43.

23-  R Sheikhpour, MA Sarram, S Gharaghani, M. A. Zare Chahooki "Feature selection based on graph Laplacian by utilizing compounds with known and unknown activities" Journal of Chemometrics. (2017) 31.1-13.

22-  Z Chavoshpour-Natanzi, M Sahihi, S Gharaghani, "Structural Stability of β-lactoglobulin in the Presence of Cetylpyridinum Bromide: Spectroscopic and Molecular Docking Studies" Journal of Biomolecular Structure and Dynamics. 2017, 1-8.

21- H MotieGhader, S Gharaghani, Y Masoudi-Sobhanzadeh, A Masoudi-Nejad "Sequential and Mixed Genetic Algorithm and Learning Automata (SGALA) for Feature Selection in QSAR" Iranian Journal of Pharmaceutical Research.( 2017) 16. 533-553

20-  R Sheikhpour, M Agha Sarram, S Gharaghani "Constraint score for semi-supervised feature selection in ligand-and receptor-based QSAR on serine/threonine-protein kinase PLK3 inhibitors" Chemometrics and Intelligent Laboratory Systems, (2017) 163. 31-40.

19-  R Sheikhpour, MA Sarram, S Gharaghani, M. A. Zare Chahooki "A Survey on semi-supervised feature selection methods", Pattern Recognition,  (2017) 64 .141–158.

18- A Benvidi, S Abbasi, S Gharaghani, M Dehghan Tezerjani, S Masoum, "Spectrophotometric determination of synthetic colorants using PSO–GA-ANN", Food Chemistry (2017) 220, 377-384.

17-  Z Kazemi, H Rudbari, M Sahihi, V Mirkhani, M Moghadam, Sh Tangestaninejad, I Mohammadpoor-Baltork, Gh Azimi, S Gharaghani, A Abbasi Kajani, "Synthesis, characterization and separation of chiral and achiral diastereomers of Schiff base Pd (II) complex: A comparative study of their DNA-and HSA-binding", Journal of Photochemistry and Photobiology B: Biology (2016) 163, 246-260,

16-  Z Kazemi, H Rudbari, M Sahihi, V Mirkhani, M Moghadam, Sh Tangestaninejad, I Mohammadpoor-Baltork, S Gharaghani, "Synthesis, characterization and biological application of four novel metal-Schiff base complexes derived from allylamine and their interactions with human serum albumin: Experimental, molecular docking and ONIOM computational study", Journal of Photochemistry and Photobiology B: Biology (2016) 162, 448-462.

15-  Z Amini, MH Fatemi, S Gharaghani, "Hybrid docking-QSAR studies of DPP-IV inhibition activities of a series of aminomethyl-piperidones", Computational Biology and Chemistry, (2016) 64, 335–345.

14-  H Moghadam, M Rahgozar, S Gharaghani*, "Scoring multiple features to predict drug disease associations using information fusion and aggregation", SAR and QSAR in Environmental Research (2016) 27 (8), 609-628.

13-  M Ebrahimi, A Mani-Varnosfaderani, T Khayamian, S Gharaghani "An in silico approach to design peptide mimetics based on docking and molecular dynamics simulation of EGFR–matuzumab complex". Journal of the Iranian Chemical Society, (2016) 13 (10), 1805–1817.

12-  AR Massah, S Gharaghani, H Ardeshiri Lordejani, N Asakere "New and mild method for the synthesis of alprazolam and diazepam and computational study of their binding mode to GABAA receptor". Medicinal Chemistry Research, (2016) 25 (8), 1538–1550.

11-  M Malekpoor, S Gharaghani, A Sharifzadeh, SN Mirsattari, AR Massah, "Synthesis and antibacterial evaluation of novel xanthone sulfonamides". Journal of Chemical Research (2015)  39 (8), 433-437

10-  Mohammad H Fatemi, Afsane Heidari, Sajjad Gharaghani "QSAR prediction of HIV-1 protease inhibitory activities using docking derived molecular descriptors" Journal of Theoretical Biology  (2015) Vol. 369, 13–22

9-  Saghi Sepehri, Sajjad Gharaghani, Lotfollah Saghaie, Mohammad R. Aghasadeghi, Afshin Fassihi "QSAR and docking studies of some 1,2,3,4-tetrahydropyrimidines: evaluation of gp41 as possible target for anti-HIV-1 activity".  Med Chem Res (2014) VOL 24,1707–1724.

8-  Sajjad Gharaghani, Taghi Khayamian, Malihe Ebrahimi "Multitarget fragment-based design of novel inhibitors for AChE and SSAO/VAP-1 enzymes". Journal of Chemometrics (2013) Vol. 27, No. 10, 297-305.

7-  Sajjad Gharaghani, Taghi Khayamian, Malihe Ebrahimi, "Molecular dynamics simulation study and molecular docking descriptors in structure-based QSAR on acetylcholinesterase (AChE) inhibitors". SAR and QSAR in Environmental Research, (2013) Vol. 24, No. 9, 773–794.

6-  Malihe Ebrahimi, Taghi Khayamian, Sajjad Gharaghani "Interactions between activin-like kinase 5 (ALK5) receptor and its inhibitors and the construction of a structure-based QSAR model using docking-based descriptors". Journal of Brazilian Chemical Society, (2012) Vol. 23, No. 11, 2043-2053.

5-  Fayezeh Samari, Mojtaba Shamsipur, Bahram Hemmateenejad, Taghi Khayamian, Sajjad Gharaghani, "Investigation of the Interaction between Amodiaquine and Human Serum Albumin by Fluorescence Spectroscopy and Molecular Modeling". European Journal of Medicinal Chemistry (2012) 54:255-263.

4-  Sajjad Gharaghani, Taghi Khayamian, Fatemeh Keshavarz, "Docking, Molecular Dynamics Simulation Studies, and Structure-Based QSAR Model on Cytochrome P450 2A6 Inhibitors". Structural Chemistry (2012) 23:341–350.

3-  Sajjad Gharaghani, Taghi Khayamian, Fatemeh Keshavarz, "A Structure-based QSAR and Docking Study on Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4,]benzodiazepines as Selective GABAA a5 Inverse Agonists". Chemical Biology and Drug Design (2011) 78: 612–621.

2-  Mohammad Hossein Fatemi, Sajjad Gharaghani, Samahe Mohammadkhani, Zeinab Rezaie, "Prediction of selectivity coefficients of univalent anions for anion-selective electrode using support vector machine". Electrochimica Acta (2008) 4276-4283.

1-  Mohammad Hossein Fatemi, Sajjad Gharaghani, "A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine". Bioorganic and Medicinal Chemistry (2007) 7746-7754.

 


 

 

International Proceedings

Sajjad Gharaghani "Systems Pharmacology in Drug Discovery" XXVIII Symposium on Bioinformatics and Computer-Aided Drug Discovery, 2022, Moscow, Russia. (Lecture)

Sajjad Gharaghani "Bioinformatics and computational drug discovery" 2nd International conference for Pharmaceutical Sciences, Faculty of Pharmacy, Aleppo University, 2022, Aleppo,  Syria. (Lecture)

Sajjad Gharaghani "Bioinformatics in drug discovery" 2nd International & 14th IRANIAN Genetics Congress, Shahid Beheshti University, 2016, Tehran, Iran. (Lecture)

 

National Proceedings

1-Sajjad Gharaghani "A novel proteochemometrics model for predicting the inhibition of carbonic anhydrase isoforms using least squares support vector machine" The 8th Conference on Bioinformatics, University of Zabol, 18-20 Feb 2018, Zabol, Iran. (lecture)

2-                 Sajjad Gharaghani "Polypharmacology in drug discovery" The 15th Conference on Biophysical Chemistry, Islamic Azad University of Gorgan, 23-24 Oct 2018, Gorgan, Iran. (lecture)

3-                 Sajjad Gharaghani "Role of bioinformatics in drug discovery" The 7th Conference on Bioinformatics, University of Tarbiat Modarres, 3-5 Jan 2018, Tehran, Iran. (lecture)

4-                 Sajjad Gharaghani "Systems Pharmacology" 6th Iranian Biennial Chemometrics Seminar, University of Mazandaran, 26-27 Oct 2017, Babolsar, Iran. (lecture)

5-                 Mohsen Yazdani, Sajjad Gharaghani, "Differential expression analysis of Psoriasis with microarray data" The 6th Conference on Bioinformatics, University of Tehran, 13-15 Dec 2016, Tehran, Iran.

6-                 Shokoofeh Ghiam and Sajjad Gharaghani, "Prediction of oral carcinoma recurrence using supervised and semi-supervised learning" The 6th Conference on Bioinformatics, University of Tehran, 13-15 Dec 2016, Tehran, Iran.

7-                 Hakimeh Moghadam, Maseud Rahgozar, Sajjad Gharaghani, "Using Heterogeneous Feature Fusion in Drug-Disease Interactions Prediction", The 6th Conference on Bioinformatics, University of Tehran, 13-15 Dec 2016, Tehran, Iran.

8-                 S. S. Jafarypour, S. Gharaghani, A. A. Saboury and A. A. Meratan "Three dimensional pharmacophore modeling of Alpha-synuclein aggregation inhibitors" 14th Iranian Biophysical Chemistry Conference, University of Zabol, 2016, Zabol, Iran

9-                 Sajjad Gharaghani "Bioinformatics in drug discovery" 2nd International & 14th IRANIAN Genetics Congress, University of Shahid Beheshty, 2016, Tehran, Iran. (lecture)

10-  Sajjad Gharaghani "Computational Chemogenomics: an emerging strategy for rapid target and drug discovery" 5th Iranian Biennial Chemometrics Seminar, University of Tehran, 2015, Tehran, Iran. (lecture)

11-  Elmira Nazarshodeha and Sajjad Gharaghani, "Pharmacophore-based virtual screening and toxicity risk analysis for identifying novel MPS1 inhibitors" 5th Iranian Biennial Chemometrics Seminar, University of Tehran, 2015, Tehran, Iran. (poster)

12-  Afsane Heidari, Mohammad H. Fatemi and Sajjad Gharaghani "Hybrid docking-QSAR methodology in prediction of HIV-1 protease inhibitory activities of some drug candidates" 5th Iranian Conference on Bioinformatics, University of Tehran, 2014, Tehran, Iran. (lecture)

13-  S. Gharaghani, T. Khayamian, "A target-based QSAR study on quinolizidinone carboxylic acids as muscarinic acetylcholine positive allosteric modulators using docking, molecular dynamics simulation and least squares-support vector regression" 18th Iranian seminar of analytical chemistry, Zahedan university, 2011 (lecture)

14-  Z. Hassanzadeh, S. Gharaghani, M. Saraji,T. Khayamian, "A novel QSPR model for prediction of ionization efficiency (IE) of organic compounds using least squares support vector regression" 17th Iranian seminar of analytical chemistry, Kashan university, 2010 (poster)

15-S. Gharaghani, T. Khayamian, "A target-based QSAR study on 4-[(diethylamino)methyl]-phenol derivatives as cholinesterase inhibitors using docking, molecular dynamic simulation and least squares-support vector machine" 16th Iranian seminar of analytical chemistry, Kashan University, 2010 (lecture)

16-  S. Gharaghani, T. Khayamian, F. Keshavarz, "QSAR studies on benzodiazepine classes as a selective GABAA α5 inverse agonist using Homology Modeling, Molecular Dynamic Simulation and Molecular Docking" 2th Iranian seminar of Chemometrics, Urmia university, 2009 (lecture)

17-  T. Khayamian , S. Gharaghani, F. Keshavarz "Bioinformatics"16th Iranian seminar of analytical chemistry, Hamedan university, 2009 (lecture)

18-  S. Gharaghani, F. Keshavarz, T. Khayamian "QSAR for Predicting Inhibitors of Cytochrome P450 2A6 Using Molecular Docking and Molecular Dynamic Simulation",16th Iranian seminar of analytical chemistry, Hamedan university, 2009 (lecture)

19-  M.H.Fatemi, S.Gharaghani, "Prediction of selectivity coefficients of univalent anions for liquid ion-exchange membrane electrodes using support vector machine", Urmia university, 7th Iranian seminar of electrochemistry, 2008 (lecture)

20-  M. H. Fatemi, M. Ghorbanzadeh, S. Gharaghani, E. Baher,  "Support vector regression based QSPR modeling of retention factor in micellar electric chromatography", 15th Iranian seminar of analytical chemistry, Shiraz university, Feb. 2007 (poster)

21-  E. Baher, M. H. Fatemi, S. Gharaghani, M. Ghorbanzadeh, " Support vector regression modeling of degradability rate constant of alkenes by OH radical in atmosphere", 15th Iranian seminar of analytical chemistry, Shiraz university, Feb. 2007 (poster)

22-  M.H.Fatemi, S.Gharaghani, M.Ghahramani, E.Baher, M. Ghorbanzade " QSAR Modeling of Blood-Brain Barrier Penetration Coefficients by Using Support Vector Machine", 15th Iranian seminar of analytical chemistry, Shiraz university, Feb. 2007 (poster)

23-  M.H.Fatemi, S.Gharaghani, E.Baher, M.Ghorbanzade, "Prediction of Gas-Phase Degradation Rate Constant of Alkenes by NO3 Using Support Vector Regression ", 15th Iranian seminar of analytical chemistry, Shiraz university, Feb. 2007 (lecture)

Publications


Activity in Scientific Journals

Associate Editor:

Frontiers in Pharmacology - (Experimental Pharmacology and Drug Discovery Section)  

Frontiers in Bioinformatics - (Drug discovery in Bioinformatics section) 

 

Editorial Board Member:

Molecular diversity (Springer)

 

 Reviewer for International Journals

1. Journal of Chemical Information and Modeling (ACS)

2. PLOS ONE

3. BMC Bioinformatics

4. IEEE Transactions on Cybernetics (IEEE)

2. IEEE Transactions on Neural Networks and Learning Systems (IEEE)

3. Scientific Reports (Nature Research)

4. Expert Opinion On Drug Discovery (Taylor & Francis)

5. IEEE Access (IEEE)

6. Network Modeling Analysis in Health Informatics and Bioinformatics (NHIB) (Springer)

7. Food & Function (RSC)

8. Journal of Molecular Graphics and Modelling (Elsevier)

9. Transactions on Computational Biology and Bioinformatics (IEEE)

10. Computers in Biology and Medicine (Elsevier)

11.  Artificial Intelligence Review (Springer)

12.  Genomics (Elsevier)

13.  Bioorganic Chemistry (Elsevier)

14.  Journal of Receptors and Signal Transduction (Taylor & Francis)

15.  Journal of Molecular Structure (Springer)

16.  Molecular Informatics (Wiley)

17.  Phytotherapy Research (Wiley)

18.  Pest Management Science (Wiley)

19.  Chemical Biology and Drug Design (Wiley)

20.  Computational Biology and Chemistry (Elsevier)

21.  Molecular Biology Reports (Springer)

22.  Industrial & Engineering Chemistry Research (ACS)

23.  ACS Omega (ACS)

24.  SAR and QSAR in Environmental Research (Taylor & Francis)

25.  Journal of Biomolecular Structure & Dynamics (Taylor & Francis)

26.  Applied Organometallic Chemistry (Wiley)

27.  Cellular and Molecular Bioengineering (Springer)

28.  Medicinal chemistry Research (Springer)

29. Journal of Separation Science (Wiley)

30.  Chemical Data Collections (Elsevier)

31.  Journal of the Chinese Chemical Society (Wiley)

32.  Adsorption (Springer)

33.  Journal of Iranian Chemical Society (Springer)

34.  Informatics in Medicine Unlocked (Elsevier)

35.  Analytical and Bioanalytical Chemistry Research (Iranian Chemical Society)

36.  Ultrasonics-Sonochemistry (Elsevier)

37. Research in Pharmaceutical Sciences (Medknow)

38. Iranian Journal of Biotechnology

39. Iranian Journal of Pharmaceutical Research

40. Iranian Journal of Chemistry and Chemical Engineering (IJCCE)

41. International Journal of Nanoscience and Nanotechnology

42. Brazilian Journal of Pharmaceutical Sciences

43. International Journal of Analytical Chemistry (Hindawi)

44. Analytical Sciences (Japan Society for Analytical Chemistry)

 

Activity in Scientific Societies

1) Member of the board of directors in Iranian Bioinformatics Society (IBIS)

2) Member of Iranian Chemistry Society (ICS).

 

Member of Conference Scientific Committee

1- Scientific secretary of the First International and 10th National Iranian Conference on Bioinformatics, University of Tehran, 2022, Kish, Iran.      

2- 8th Iranian Conference on Bioinformatics, University of Zabol, 2019, Zabol, Iran.

3- 7th Iranian Conference on Bioinformatics, University of Tarbiat Modarres, 2018, Tehran, Iran.

4- 6th Iranian Biennial Chemometrics Seminar, University of Mazandaran, 2017, Babolsar, Iran.

5- 6th Iranian Conference on Bioinformatics, University of Tehran, 2016, Tehran, Iran.

6- 5th Iranian Biennial Chemometrics Seminar, University of Tehran, 2015, Tehran, Iran.

 

Member of Conference Organizing Committee

1- Executive secretary of 6th Iranian Conference on Bioinformatics, University of Tehran, 2016, Tehran, Iran.

2- 5th Iranian Biennial Chemometrics Seminar, University of Tehran, 2015, Tehran, Iran.

3- 5th Iranian Conference on Bioinformatics, University of Tehran, 2014, Tehran, Iran.

 

Coordinating Workshop /Training Course  

1- Computational Drug Design, 2019, University of Zabol, 19 February  2019,  Zabol, Iran

2- 1st International Computational Biology Workshop, 2017, Amirkabir University of Technology, 12-14 December, Tehran, Iran

3- Computational Drug Design, 2017, Pasteur Institute of Iran, 12 July 2017,  Tehran, Iran

4- Computational Drug Design, 2016, University of Tehran, 15 Dec 2016,  Tehran, Iran

5- Computational Drug Design, 2014, University of Tehran, 22 May 2014,  Tehran, Iran

 

Research Postgraduate Students Supervised

A) M.Sc Students:

 

1) Abdolhossein Habibzadeh Ardabili (Computer Engineering, 2015) University of Tehran, 

2) Farhaneh Moradi (Artificial Intelligence, 2015) Alzahra University, 

3) Hakime Moghadam (Computer Engineering, 2016) University of Tehran,   

4) Sedigheh Sadat Jafarypour (Biophysics, 2017) University of Tehran 

5) Faride Sadeghkhani (2019) University of Tehran   

6) Paris Elyasi  (Biochemistry, 2021) University of Tehran

B) Ph.D Students

1) Soheila Shabani (2020) University of Tehran, 

2) Farshid Shirafkan (2021) University of Tehran, 

3) Mohammad Morovvati (2022) University of Tehran, 

4) Elmira Nazarshodeh (2022) University of Tehran,  

5) Zahra Bastami  ( 2022) University of Tehran, 

6) Shokoofeh Ghiam (2023) University of Tehran,

C) Visiting Fellows

1)  Razieh Sheikhpour (Ph.D Student in Computer Engineering, Software) Yazd University (2016)

2) Hoda Munda (Ph.D Student in Medicinal Chemistry) Damascus University (Syria)  (2018)

 

 

Course titles

•    Computational Drug Design (Ph.D. Course)
•    Chemoinformatics (Ph.D. Course)
•    Seminar in Bioinformatics (Ph.D. Course)
•    Special Topics in Computational Drug Design (Ph.D. Course)