P Tosco, T Balle, F Shiri

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

Journal of computer-aided molecular design 25 (8), 777-783, 2011, 2011

• CitedBy: 154

B Hashemi, F Shiri, F Švec, L Novakova

Green solvents and approaches recently applied for extraction of natural bioactive compounds

TrAC Trends in Analytical Chemistry 157, 116732, 2022, 2022

• CitedBy: 110

S Pirhadi, F Shiri, JB Ghasemi

Multivariate statistical analysis methods in QSAR

Rsc Advances 5 (127), 104635-104665, 2015, 2015

• CitedBy: 103

S Pirhadi, F Shiri, JB Ghasemi

Methods and applications of structure based pharmacophores in drug discovery

Current topics in medicinal chemistry 13 (9), 1036-1047, 2013, 2013

• CitedBy: 97

A Sargazi, F Shiri, S Keikha, MH Majd

Hyaluronan magnetic nanoparticle for mitoxantrone delivery toward CD44-positive cancer cells

Colloids and Surfaces B: Biointerfaces 171, 150-158, 2018, 2018

• CitedBy: 54

S Shahraki, F Shiri, H Mansouri-Torshizi, J Shahraki

Characterization of the interaction between a platinum (II) complex and human serum albumin: spectroscopic analysis and molecular docking

Journal of the Iranian Chemical Society 13 (4), 723-731, 2016, 2016

• CitedBy: 48

S Shahraki, M Saeidifar, F Shiri, A Heidari

Assessment of the interaction procedure between Pt(IV) prodrug [Pt(5,5′-dmbpy)Cl4 and human serum albumin: Combination of spectroscopic and molecular …

Journal of Biomolecular Structure and Dynamics 35 (14), 3098-3106, 2017, 2017

• CitedBy: 42

C He, MH Majd, F Shiri, S Shahraki

Palladium and platinum complexes of folic acid as new drug delivery systems for treatment of breast cancer cells

Journal of Molecular Structure 1229, 129806, 2021, 2021

• CitedBy: 40

JB Ghasemi, A Abdolmaleki, F Shiri

Molecular docking challenges and limitations

Pharmaceutical sciences: Breakthroughs in research and practice, 770-794, 2017, 2017

• CitedBy: 40

F Shiri, S Pirhadi, JB Ghasemi

Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors

Journal of Biomolecular Structure and Dynamics 37 (7), 1800-1812, 2019, 2019

• CitedBy: 39

A Sargazi, N Kamali, F Shiri, M Heidari Majd

Hyaluronic acid/polyethylene glycol nanoparticles for controlled delivery of mitoxantrone

Artificial cells, nanomedicine, and biotechnology 46 (3), 500-509, 2018, 2018

• CitedBy: 39

JB Ghasemi, F Shiri

Molecular docking and 3D-QSAR studies of falcipain inhibitors using CoMFA, CoMSIA, and Open3DQSAR

Medicinal Chemistry Research, 1-19, 2012, 2012

• CitedBy: 35

R Khosrokhavar, JB Ghasemi, F Shiri

2D quantitative structure-property relationship study of mycotoxins by multiple linear regression and support vector machine

International journal of molecular sciences 11 (9), 3052-3068, 2010, 2010

• CitedBy: 34

S Shahraki, F Shiri, M Heidari Majd, S Dahmardeh

Anti-cancer study and whey protein complexation of new lanthanum (III) complex with the aim of achieving bioactive anticancer metal-based drugs

Journal of Biomolecular Structure and Dynamics 37 (8), 2072-2085, 2019, 2019

• CitedBy: 32

E Rafiee, H Mahdavi, S Eavani, M Joshaghani, F Shiri

Catalytic activity of tungstophosphoric acid supported on carriers of diverse acidity in the synthesis of enaminones

Applied Catalysis A: General 352 (1-2), 202-207, 2009, 2009

• CitedBy: 32

S Shahraki, Z Razmara, F Shiri

A paramagnetic oxalato-bridged binuclear copper (II) complex as an effective catalase inhibitor. Spectroscopic and molecular docking studies

Journal of Molecular Structure 1208, 127865, 2020, 2020

• CitedBy: 31

S Shahraki, F Shiri, MH Majd, Z Razmara

Comparative study on the anticancer activities and binding properties of a hetero metal binuclear complex [Co (dipic) 2Ni (OH2) 5]· 2H2O (dipic= dipicolinate) with two carrier …

Journal of pharmaceutical and biomedical analysis 145, 273-282, 2017, 2017

• CitedBy: 30

M Hassanpour, M Shamsipur, N Babajani, F Shiri, B Hashemi, N Fattahi

pH-responsive deep eutectic solvents applied in the extraction of abamectin and endosulfan from water and fruit juice samples: a comparative study

Microchemical Journal 187, 108391, 2023, 2023

• CitedBy: 29

F Shiri, S Pirhadi, A Rahmani

Identification of new potential HIV-1 reverse transcriptase inhibitors by QSAR modeling and structure-based virtual screening

Journal of Receptors and Signal Transduction 38 (1), 37-47, 2018, 2018

• CitedBy: 29

F Shiri, S Shahraki, A Shahriyar, MH Majd

Exploring isoxsuprine hydrochloride binding with human serum albumin in the presence of folic acid and ascorbic acid using multispectroscopic and molecular modeling methods

Journal of Photochemistry and Photobiology B: Biology 170, 152-163, 2017, 2017

• CitedBy: 27

شيري فرشته

Pharmacophore elucidation and 3D-QSAR analysis of a new class of highly potent inhibitors of acid ceramidase based on maximum common substructure and field fit alignment methods.

ACADEMIC MEDICINE

شيري فرشته

Computer-aided molecular design of (E)-N-Aryl-2-ethene-sulfonamide analogues as microtubule targeted agents in prostate cance

ACADEMIC MEDICINE

شيري فرشته

Discovery of New Potential Antimalarial Compounds Using Virtual Screening of ZINC Database

ACADEMIC MEDICINE

شيري فرشته

3D-QSAR and virtual screening studies in identification of new Rho kinase inhibitors with different scaffolds

ACADEMIC MEDICINE

شيري فرشته

Synthesis characterization in vitro cytotoxicity in silico ADMET analysis and interaction studies of 5-dithiocarbamato-1 3 4-thiadiazole-2-thiol and its zinc (ii) complex with human serum albumin combined spectroscopy and molecular docking investigations

ACADEMIC MEDICINE

شيري فرشته

Alignment independent 3D-QSAR quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs

ACADEMIC MEDICINE

شيري فرشته

Characterization of the interaction between a platinum (II) complex and human serum albumin spectroscopic analysis and molecular docking

ACADEMIC MEDICINE

شيري فرشته

Biophysical and Molecular Docking Studies of Human Serum Albumin Interactions with a Potential Anticancer Pt (II) Complex

ACADEMIC MEDICINE

شيري فرشته

Computer-aided molecular design of some indolinone derivatives of PLK4 inhibitors as novel anti-proliferative agents

ACADEMIC MEDICINE

شيري فرشته

Exploring isoxsuprine hydrochloride binding with human serum albumin in the presence of folic acid and ascorbic acid using multispectroscopic and molecular modeling methods

ACADEMIC MEDICINE

شيري فرشته

Evaluation of in silico ADMET analysis and human serum albumin interactions of a new lanthanum (III) complex by spectroscopic and molecular modeling studies

ACADEMIC MEDICINE

شيري فرشته

In silico approaches to explore structure of new GPR 119 agonists for treatment of type 2 diabetes mellitus

ACADEMIC MEDICINE

شيري فرشته

Methods and Applications of Structure Based Pharmacophores in Drug Discovery

ACADEMIC MEDICINE

شيري فرشته

Multivariate statistical analysis methods in QSAR

ACADEMIC MEDICINE

شيري فرشته

Application of Multivariate Linear and Nonlinear Calibration and Classification Methods in Drug Design

ACADEMIC MEDICINE

شيري فرشته

Molecular Docking Challenges and Limitations

ACADEMIC MEDICINE

شيري فرشته

Central Composite Design Optimization of Dispersive Liquid Liquid Microextraction Based on Solidification of Organic Drop for the Determination of 5-hydroxymethyl-2-furfural in Orange Juice Using High-Performance Liquid Chromatography

ACADEMIC MEDICINE

شيري فرشته

Hyaluronic acid/polyethylene glycol nanoparticles for controlled delivery of mitoxantrone

ACADEMIC MEDICINE

حيدري آمنه ، شهركي سميه ، شيري فرشته ، Maryam Saeidifar

Assessment of the Interaction Procedure Between Pt(IV) Prodrug [Pt(5,5?-dmbpy)Cl4 and Human Serum Albumin. Combination of Spectroscopic and Molecular Modeling Technique

JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS

شيري فرشته

Synthesis characterization protein interaction and antibacterial activity of a lanthanum(III) complex La(Trp)3(OH2)2 (Trp tryptophan) as a new precursor for synthesis of La2O2CO3 nanoparticles

ACADEMY OF MANAGEMENT JOURNAL

شيري فرشته

Synthesis characterization in silico ADMET prediction and protein binding analysis of a novel zinc(II) Schiff-base complex Application of multi-spectroscopic and computational techniques

JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS

شيري فرشته

Comparative study on the anticancer activities and binding properties of a hetero metal binuclear complex Co(dipic)2Ni(OH2)52H2O (dipic dipicolinate) with two carrier proteins

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

شيري فرشته

Binding Interaction of Isoxsuprine Hydrochloride and Levothyroxine to Milk -lactoglobulin From the Perspective of Comparison

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

شيري فرشته

Identification of new potential HIV-1 reverse transcriptase inhibitors by QSAR modeling and structure-based virtual screening

JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

شيري فرشته

An explorative study on potent Gram-negative specific LpxC inhibitors CoMFA CoMSIA HQSAR and molecular docking

JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

شيري فرشته

Mechanistic understanding and binding analysis of a novel Schiff base palladium (II) complex with -lactoglobulin and human serum albumin

JOURNAL OF MOLECULAR LIQUIDS

شيري فرشته

Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors

JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS

كريمي پويا ، يو چوانرونگ ، مصطفي حيدري مجد ، شيري فرشته ، شهركي سميه

The role of folic acid in inducing of apoptosis by zinc(II) complex in ovary and cervix cancer cells

MOLECULAR DIVERSITY

كريمي پويا ، يانگ ليون ، حيدري مجد مصطفي ، شيري فرشته ، شهركي سميه

The in vitro apoptotic effect of new zinc complex possessing folic acid and phenanthroline on cervix cancer cells

APPLIED ORGANOMETALLIC CHEMISTRY

شهركي سميه ، Chenyang He ، Mostafa Heidari Majd ، شيري فرشته

Palladium and platinum complexes of folic acid as new drug delivery systems for treatment of breast cancer cells

JOURNAL OF MOLECULAR STRUCTURE

شيري فرشته ، شهركي سميه ، فروزنده مقدم حسين

A mechanistic explanation of two novel Zn(II) dithiocarbamate complexes with b-lactoglobulin

JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS

شيري فرشته ، مريم صلاحي نژاد ، مؤمني موگوئي نادر ، سنچولي محمود

Predicting stability constants of transition metals; Y3+, La3+, and UO2 2+ with organic ligands using the 3D-QSPR methodology

JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

شيري فرشته ، Mohammad Shiri

An exploratory study on application of various classification models to distinguish switchable-hydrophilicity solvents based on 3D-descriptors

SEPARATION SCIENCE AND TECHNOLOGY

شيري فرشته ، Winkler David A ، SALAHINEJAD MARYAM

Discovery and Design of Radiopharmaceuticals by In Silico Methods

Current Radiopharmaceuticals

شيري فرشته ، هاشمي بشاره ، Franti?ek ?vec ، Lucie Nov?kov?

Green solvents and approaches recently applied for extraction of natural bioactive compounds

TRAC-TRENDS IN ANALYTICAL CHEMISTRY

شيري فرشته ، Nazir Fattahi ، Beshare Hashemi ، Mojtaba Shamsipur ، Nasrin Babajani

Extraction of parabens from personal care products using a pH-responsive hydrophobic deep eutectic solvent: experimental design and COSMO-RS evaluations

NEW JOURNAL OF CHEMISTRY

شيري فرشته ، هاشمي زاده سيدمجتبي ، شهركي سميه ، رزم آرا زهره

A multidisciplinary study for investigating the interaction of an iron complex with bovine liver catalase

APPLIED ORGANOMETALLIC CHEMISTRY

شيري فرشته ، Mohammad Hassanpour ، Mojtaba Shamsipur ، Nasrin Babajani ، Beshare Hashemi ، Nazir Fattahi

pH-responsive deep eutectic solvents applied in the extraction of abamectin and endosulfan from water and fruit juice samples: A comparative study

MICROCHEMICAL JOURNAL

شيري فرشته ، رحماني فر عصمت ، شهركي سميه ، كريمي پويا

Experimental design for removal of lead ions from water samples using an engineered novel chitosan functionalized Schiff-base adsorbent

CHEMICAL ENGINEERING COMMUNICATIONS

رزم آرا زهره ، شيري فرشته ، شهركي سميه

Hydrothermal synthesis of a paramagnetic alkali supermolecule, its effect on catalase inhibitory by spectroscopic and theoretical investigation

INORGANICA CHIMICA ACTA

شيري فرشته ، رزم آرا زهره ، كريمي پويا ، شهركي سميه ، Marek Necas

Catalytic activity of a new Cd (II) complex in the peroxidation of cyclohexane and the resulting CdO nanoparticles in the removal of Congo red

APPLIED ORGANOMETALLIC CHEMISTRY

شيري فرشته ، شهركي سميه ، رزم آرا زهره

Improving enzymatic performance of antioxidant enzyme catalase in combination with [Mn (phen) ₂ Cl.H ₂ O]Cl.tu complex

APPLIED ORGANOMETALLIC CHEMISTRY

شيري فرشته ، Niousha Soleymani ، Shahin Ahmadi ، Ali Almasirad

QSAR and molecular docking studies of isatin and indole derivatives as SARS 3CLpro inhibitors

BMC Chemistry

حيدري آمنه ، شهركي سميه ، Maryam Saeidifar ، شيري فرشته

Synthesis, Characterization, Cytotoxicity and Detailed HSA Interaction of New Zinc(II) Complexes Containing Dithiocarbamate and Heterocyclic N-donor Ligands

POLYCYCLIC AROMATIC COMPOUNDS

امام جمعه عباسعلي ، دماوندي صديقه ، شيري فرشته ، پيرهادي سميه ، بيضائي حميد

A study of the interaction space of two lactate dehydrogenase isoforms (LDHA and LDHB) and some of their inhibitors using proteochemometrics modeling

BMC Chemistry

شيري فرشته ، رضائي كيخائي نسرين ، Shahin Ahmadi ، Maryam Salahinejad

QSTR based on Monte Carlo approach using SMILES and graph features for toxicity toward Tetrahymena pyriformis

Journal of the Iranian Chemical Society JICS

شيري فرشته ، Fan Xu ، Li Zhang ، Mostafa Heidari Majd ، كريمي پويا ، Xiangyu Guo

Increase delivery, cytotoxicity, stability and induction of apoptosis in cisplatin by establishing a new complex with methotrexate

JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY

شيري فرشته ، Beshare Hashemi ، فتاحي نظير ، ظهرابي پروين ، Filipe Hobi Bordon ´ Sosa

Alcohol-based deep eutectic solvents with pH-responsive hydrophobicity for the analysis of herbicides in water and fruit juice samples

SEPARATION AND PURIFICATION TECHNOLOGY

شيري فرشته ، اقاحسني راضيه ، كمال الديني حسين ، حدادي فاطمه ، Somayeh Pirhadi

Hit discovery of potential CDK8 inhibitors and analysis of amino acid mutations for cancer therapy through computer-aided drug discovery

BMC Chemistry

شيري فرشته ، بامدي فريبا ، احمدي شهين ، صلاحي نژاد مريم ، بزي اله ري فائزه

Optimization of Monte Carlo Method-Based QSPR modeling for lipophilicity in radiopharmaceuticals

CHEMICAL PHYSICS LETTERS

شهركي سميه ، عليمرادي زهرا ، شيري فرشته ، رزم آرا زهره ، Mostafa Heidari-Majd

Experimental and Theoretical Approaches to Monitor the Behavior of Bovine Liver Catalase in Interaction with a Binuclear Bismuth Complex

ACS Omega

شيري فرشته ، ميرجليلي بي بي فاطمه ، Seyedeh Azita Fazeli Attar

Synthesis, biological evaluation and in silico study of 4-(benzo[d] thiazole-2-yl) phenols based on 4-hydroxy coumarin as acetylcholinesterase inhibitors

Scientific Reports

شيري فرشته ، كريمي پويا ، نجاتي يزدي نژاد مسعود ، صلاحي نژاد مريم ، مظفري راحله

Identification of new positron emission tomography (PET) imaging agents for the ghrelin receptor in disease through molecular modeling

Network Modeling and Analysis in Health Informatics and Bioinformatics

شيري فرشته ، بزي اله ري فائزه ، احمدي شهين ، Alla P. Toropova ، Andrey A. Toropov

SMILES?based QSAR virtual screening to identify potential therapeutics for COVID?19 by targeting 3CLpro and RdRp viral proteins

BMC Chemistry

شيري فرشته ، Yanfang Zhao ، Wanbao Ding ، Peixian Zhang ، Lei Deng ، Yi Long ، Jiuqin Lu ، Mostafa Heidari Majd

Improving Tamoxifen Performance in Inducing Apoptosis and Hepatoprotection by Loading on a Dual Nanomagnetic Targeting System

Anti-Cancer Agents in Medicinal Chemistry

شيري فرشته ، شهركي سميه ، Razieh Nejat ، حيدري آمنه ، رزم آرا زهره ، شهركي كبري

Binding Mechanism Between Iron?Related Proteins (Catalase and Transferrin) and Favipiravir

ChemistrySelect

بيضائي حميد ، شيخ سكينه ، شيري فرشته ، آرين رضا

Evaluation of the interactions of hydrazide derivatives with acetic acid and molecular modeling analysis of N-acetylated hydrazides

RSC Advances

شيري فرشته ، مكاري زهرا ، احمدي شهين

Computational prediction of sublimation enthalpy of organic compounds using the Monte Carlo technique

CHEMICAL PHYSICS

شيري فرشته ، Nazir Fattahi ، Parvin Zohrabi ، Filipe Hobi Bord?n Sosa ، Beshare Hashemi ، كريمي پويا

Using COSMO-RS in the designing and screening of different eutectic solvents for the extraction of carbaryl

SEPARATION AND PURIFICATION TECHNOLOGY

شيري فرشته ، لشكرزاده نرگس ، شهركي سميه ، رزم آرا زهره ، حيدري مجد مصطفي

Synergistic, theoretical, and experimental study of the interaction of a tri-heterometallic polymer with bovine liver catalase

RSC Advances

شيري فرشته ، نصرت زهي اسما ، كريمي پويا ، احمدي شهين

Identification of potential PI3K? inhibitors among FDA approved drugs using integrated computational and quantum chemical approaches

Scientific Reports

شيري فرشته ، سنچولي محمود ، كريمي پويا

Investigation of the Mutual Interactions of the Sodium Ion and Some 15-Crown-5 Ethers through an Experimentally Based QSPR Model and Quantum Mechanical Features

Current Applied Sciences

شيري فرشته ، كريمي پويا ، فتاحي نظير ، هاشمي بشاره ، ظهرابي پروين

pH-switchable vortex-assisted liquid-liquid microextraction using hydrophobic eutectic solvents for the extraction of phthalate esters from water, fruit juice, and milk samples

FOOD CHEMISTRY

Fatahi, Nazir; Shiri, Fereshteh; Zohrabi, Parvin; Hobi Bordón Sosa, Filipe Hobi Bordon; Hashemi, Beshare; Karimi, Pouya

Using COSMO-RS in the designing and screening of different eutectic solvents for the extraction of carbaryl

Separation and Purification Technology, Elsevier B.V., 2025

• CitedBy: 2 , Volume: 370 , Issue: , ISSN: 18733794; 13835866
  Doi: 10.1016/j.seppur.2025.133278

Makari, Zahrah; Shiri, Fereshteh; Ahmadi, Shahin

Computational prediction of sublimation enthalpy of organic compounds using the Monte Carlo technique

Chemical Physics, Elsevier B.V., 2025

• CitedBy: 0 , Volume: 596 , Issue: , ISSN: 3010104
  Doi: 10.1016/j.chemphys.2025.112767

Nosratzehi, Asma; Shiri, Fereshteh; Karimi, Pouya; Ahmadi, Shahin

Identification of potential PI3Kγ inhibitors among FDA approved drugs using integrated computational and quantum chemical approaches

Scientific Reports, Nature Research, 2025

• CitedBy: 0 , Volume: 15 , Issue: 1, ISSN: 20452322
  Doi: 10.1038/s41598-025-22438-9

Fatahi, Nazir; Hashemi, Beshare; Zohrabi, Parvin; Karimi, Pouya; Shiri, Fereshteh

pH-switchable vortex-assisted liquid-liquid microextraction using hydrophobic eutectic solvents for the extraction of phthalate esters from water, fruit juice, and milk samples

Food Chemistry, Elsevier Ltd, 2026

• CitedBy: 0 , Volume: 498 , Issue: , ISSN: 3088146
  Doi: 10.1016/j.foodchem.2025.147208

Fatahi, Nazir; Zohrabi, Parvin; Karimi, Pouya; Hobi Bordón Sosa, Filipe Hobi Bordon; Hashemi, Beshare; Shiri, Fereshteh

Screening terpene-based eutectic solvents for bisphenol A extraction from plastic-packed dairy products and water storage tanks: COSMO-RS and quantum chemistry calculations

Journal of Chromatography A, Elsevier B.V., 2026

• CitedBy: 0 , Volume: 1768 , Issue: , ISSN: 219673
  Doi: 10.1016/j.chroma.2026.466709

امام جمعه عباسعلي ، دماوندي صديقه ، شيري فرشته

Application of activity cliffs to virtual screening for identify lactate dehydrogenase inhibitors using machine learning approaches

همايش بيوانفورماتيك ايران