Identification of novel inhibitors of tetranectin–plasminogen interaction to suppress breast cancer invasion: an integrated computational and cell-based investigation

Amin, Asif; Lone, Asif; Farooq, Faizah; Wani, Umer Majeed; Kawoosa, Fizallah; Qadri, Raies A.

doi:10.1080/07391102.2023.2187228

Cited by 2 publications

(1 citation statement)

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“…The simulations of all four structures were performed using Gromacs 5.1.5 software. 15,16 The latest release (July 2022) of the CHARMM force field was used for all the simulations. 17 The system was solvated and the solvated system was neutralized by the addition of counter ions (Cl − and Na + ) at physiological pH (7.4).…”

Section: Simulationsmentioning

confidence: 99%

Ala307Thr variation modulates FSHR structure and impairs its binding affinity for FSH: Implications in polycystic ovarian syndrome

Amin

Lone

Wani

et al. 2023

Cell Biochemistry & Function

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Follicle‐stimulating hormone receptor (FSHR) belongs to the family of G‐protein coupled receptors and acts as a cognate receptor for follicle‐stimulating hormone (FSH). Among the various polymorphic changes reported in FSHR, rs6165 polymorphism leading to Ala307Thr variation in the extracellular domain of the FSHR (FSHRED) is widely reported. Therefore we attempted to evaluate the functional implications of this variation by studying its effects on FSHRED structure as well as FSH binding. Our atomic‐scale investigations reveal that the hinge region, a key hormone interaction site in the extracellular domain of Wt FSHR, exhibits significantly more flexibility compared with the variant structure. Moreover, the Wt receptor in complex with FSH was observed to form a pocket‐like structure in its hinge region whereas such a structure was not detected in the variant. The study further reveals that the key residue, sTyr335, required for FSH recognition and FSHR activation, exhibits lower binding free energy in the variant structure as compared to the Wt. In conclusion, our results point out that Ala307Thr variation leads to structural and conformational anomalies in FSHRED which may alter its FSH binding and affect its activation.

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Section: Simulationsmentioning

confidence: 99%

Ala307Thr variation modulates FSHR structure and impairs its binding affinity for FSH: Implications in polycystic ovarian syndrome

Amin

Lone

Wani

et al. 2023

Cell Biochemistry & Function

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Diagnostic value and application prospect of tumor abnormal protein test in head and neck tumors

Tang,

Wang,

Shi

2024

Science Progress

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Tumor abnormal protein (TAP) test also called abnormal glycoprotein chain test assesses the level of abnormal glycosylation in the body by measuring the agglutination of 10 different agglutinins, including wheat germ agglutinin, cuttle bean agglutinin, and so on. The lectins are proteins containing one or more binding sites with a strong affinity for particular carbohydrate chains that can specifically identify and bind to abnormal glycan molecules on malignant cells. It has been widely used clinically in recent years for the early diagnosis of tumourigenesis. Numerous studies have been conducted to investigate the mechanisms by which lectins bind to a set of glycans. As the incidence of head and neck cancer is high, with squamous cell carcinoma being the most common type. The lack of highly specific and sensitive tests makes early screening difficult, and treatment is often delayed, resulting in organ loss or even death, and often has a negative psychological impact. This narrative review will analyze the principle and current status of clinical application of TAP detection to prove TAP test will offer more sensitive methods for the precancerous risk assessment of head and neck squamous cell carcinoma, as well as for tracking metastases and recurrence.

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Identification of novel inhibitors of tetranectin–plasminogen interaction to suppress breast cancer invasion: an integrated computational and cell-based investigation

Cited by 2 publications

References 37 publications

Ala307Thr variation modulates FSHR structure and impairs its binding affinity for FSH: Implications in polycystic ovarian syndrome

Ala307Thr variation modulates FSHR structure and impairs its binding affinity for FSH: Implications in polycystic ovarian syndrome

Diagnostic value and application prospect of tumor abnormal protein test in head and neck tumors

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