Search Results - "Pirhadi, Somayeh"

Imidazopyridine hydrazone derivatives exert antiproliferative effect on lung and pancreatic cancer cells and potentially inhibit receptor tyrosine kinases including c-Met by Damghani, Tahereh, Moosavi, Fatemeh, Khoshneviszadeh, Mehdi, Mortazavi, Motahareh, Pirhadi, Somayeh, Kayani, Zahra, Saso, Luciano, Edraki, Najmeh, Firuzi, Omidreza

“…Aberrant activation of c-Met signalling plays a prominent role in cancer development and progression. A series of 12 imidazo [1,2-α] pyridine derivatives…”
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Molecular dynamics simulation of self-assembly in a nanoemulsion system by Pirhadi, Somayeh, Amani, Amir

“…Nanoemulsions can be applied as delivery systems that improve solubilization capacity for poorly soluble drugs, and enhance the drug loading. In this work, a…”
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Molecular dynamics simulation of siRNA loading into a nanoemulsion as a potential carrier by Pirhadi, Somayeh, Amani, Amir

“…Nanoemulsions are used as drug delivery carriers for different types of systems. Nanoemulsions can enhance solubilization property of poorly water-soluble…”
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Novel quinazoline-1,2,3-triazole hybrids with anticancer and MET kinase targeting properties by Mortazavi, Motahareh, Eskandari, Masoomeh, Moosavi, Fatemeh, Damghani, Tahereh, Khoshneviszadeh, Mehdi, Pirhadi, Somayeh, Saso, Luciano, Edraki, Najmeh, Firuzi, Omidreza

“…Oncogenic activation of receptor tyrosine kinases (RTKs) such as MET is associated with cancer initiation and progression. We designed and synthesized a new…”
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Methods and applications of structure based pharmacophores in drug discovery by Pirhadi, Somayeh, Shiri, Fereshteh, Ghasemi, Jahan B

“…A pharmacophore model does not describe a real molecule or a real association of functional groups but illustrates a molecular recognition of a biological…”
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Viral 3CLpro as a Target for Antiviral Intervention Using Milk-Derived Bioactive Peptides by Behzadipour, Yasaman, Gholampour, Maryam, Pirhadi, Somayeh, Seradj, Hassan, Khoshneviszadeh, Mehdi, Hemmati, Shiva

“…Viruses of the picornavirus-like supercluster mainly achieve cleavage of polyproteins into mature proteins through viral 3-chymotrypsin proteases (3C pro ) or…”
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Hit discovery of potential CDK8 inhibitors and analysis of amino acid mutations for cancer therapy through computer-aided drug discovery by Aghahasani, Raziye, Shiri, Fereshteh, Kamaladiny, Hossein, Haddadi, Fatemeh, Pirhadi, Somayeh

“…Cyclin-dependent kinase 8 (CDK8) has emerged as a promising target for inhibiting cancer cell function, intensifying efforts towards the development of CDK8…”
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A study of the interaction space of two lactate dehydrogenase isoforms (LDHA and LDHB) and some of their inhibitors using proteochemometrics modeling by Damavandi, Sedigheh, Shiri, Fereshteh, Emamjomeh, Abbasali, Pirhadi, Somayeh, Beyzaei, Hamid

“…Lactate dehydrogenase (LDH) is a tetramer enzyme that converts pyruvate to lactate reversibly. This enzyme becomes important because it is associated with…”
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Study of the anticancer effect of new quinazolinone hydrazine derivatives as receptor tyrosine kinase inhibitors by Mortazavi, Motahareh, Divar, Masoumeh, Damghani, Tahereh, Moosavi, Fatemeh, Saso, Luciano, Pirhadi, Somayeh, Khoshneviszadeh, Mehdi, Edraki, Najmeh, Firuzi, Omidreza

“…The advent of novel receptor tyrosine kinase inhibitors has provided an important therapeutic tool for cancer patients. In this study, a series of…”
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Rational Design, Synthesis, In Vitro, and In Silico Studies of Dihydropyrimidinone Derivatives as β-Glucuronidase Inhibitors by Karimian, Somaye, Moghdani, Yasaman, Khoshneviszadeh, Mahsima, Pirhadi, Somayeh, Iraji, Aida, Khoshneviszadeh, Mehdi

“…In the current study, a series of dihydropyrimidinone derivatives were rationally designed as β-glucuronidase inhibitors. These designed compounds were…”
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Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs by Shiri, Fereshteh, Pirhadi, Somayeh, Ghasemi, Jahan B.

“…Mer receptor tyrosine kinase is a promising novel cancer therapeutic target in many human cancers, because abnormal activation of Mer has been implicated in…”
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Application of Multivariate Linear and Nonlinear Calibration and Classification Methods in Drug Design by Abdolmaleki, Azizeh, Ghasemi, Jahan B, Shiri, Fereshteh, Pirhadi, Somayeh

“…Data manipulation and maximum efficient extraction of useful information need a range of searching, modeling, mathematical, and statistical approaches. Hence,…”
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Discovery of new potential antimalarial compounds using virtual screening of ZINC database by Ghasemi, Jahan B, Shiri, Fereshteh, Pirhadi, Somayeh, Heidari, Zahra

“…Falcipain-3 (FP-3) is a cysteine protease of the malaria parasite Plasmodium falciparum which is a promising and attractive target enzyme for antiparasitic…”
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Open source molecular modeling by Pirhadi, Somayeh, Sunseri, Jocelyn, Koes, David Ryan

“…The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software…”
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Novel 2-amino-1,4-naphthoquinone hybrids: Design, synthesis, cytotoxicity evaluation and in silico studies by Gholampour, Maryam, Seradj, Hassan, Pirhadi, Somayeh, Khoshneviszadeh, Mehdi

“…[Display omitted] •Novel 2-amino-1,4-naphthoquinone hybrids containing oxyphenyl moiety were synthesized.•The best results were obtained by compounds 5b…”
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Critical c-Met-inhibitor interactions resolved from molecular dynamics simulations of different c-Met complexes by Damghani, Tahereh, Sedghamiz, Tahereh, Sharifi, Shahrzad, Pirhadi, Somayeh

“…Overexpression or deregulation of c-Met enzyme has been reported to be associated with the formation and development of various types of human cancers, so an…”
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Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors by Shiri, Fereshteh, Pirhadi, Somayeh, Ghasemi, Jahan B.

“…Acetylcholinesterase is a critical enzyme that regulates neurotransmission by catalyzing the breakdown of neurotransmitter acetylcholine in synapses of the…”
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In silico studies of bis-spiro- and Furano-Labdane diterpenoids from Rydingia persica Scheen ( Otostegia persica ) as α-glucosidase enzyme inhibitor by Doorandishan, Mina, Pirhadi, Somayeh, Gholami, Morteza, Jassbi, Amir Reza

“…The inhibition potential of α-glucosidase enzyme by crude- dichloromethane, methanol, and ethanol -extracts of were evaluated using colorimetric method. We…”
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Type II c-Met inhibitors: molecular insight into crucial interactions for effective inhibition by Damghani, Tahereh, Elyasi, Maryam, Pirhadi, Somayeh, Haghighijoo, Zahra, Ghazi, Somayeh

“…The c-Met tyrosine kinase plays an important role in human cancers. Preclinical studies demonstrated that c-Met is over-expressed, mutated and amplified in a…”
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In silico design of novel diamino-quinoline-5,8‑dione derivatives as putative inhibitors of NAD(P)H:Quinone oxidoreductase 1 based on docking studies and molecular dynamics simulations by Gholampour, Maryam, Sakhteman, Amirhossein, Pirhadi, Somayeh, Seradj, Hassan

“…•108 diamino-quinoline-5,8‑dione derivatives were designed as potential inhibitors of NQO1 using in silico structure-based molecular design approach.•MD…”
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