Inferences from the ADMET analysis of predicted inhibitors to Follicle Stimulating Hormone in the context of infertility



Narasimharao Bhogireddy2, Ganesh Kumar Veeramachaneni2, Naga Vamsi Krishna Ambatipudi3, Pardhasaradhi Mathi2, Jayasri Ippaguntla2, Uma Ramani Ganta,sup>4, Sivaji Ganesh Adusumalli5 & Venkata Raman Bokka1,2**



1Department of Basic Sciences, Madanapalle Institute of Technology and Science (MITS), Angallu (V), Post Box No:14, Madanapalle, Chittoor district- 517 325, Andhra Pradesh, India; 2Department of Biotechnology, Centre for Biomedical Research, KLUniversity, Vaddeswaram, Guntur district-522 502; 3Dept.Of Biochemistry, Acharya Nagarjuna University, Nagarjuna nagar, Guntur, A.P., India; 4Dept. Of Biochemistry, Katuri Medical College, Guntur. A.P;5Dept. of Platform for Translational Research on Transgenic Crops (PTTC), International Crops Research Institute for the Semi-Arid Tropics (ICRISAT), Patancheru 502 324, Andhra Pradesh, India


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Received August 02, 2013; Revised August 21, 2013; Accepted August 22, 2013; Published August 28, 2013



Follicle stimulating hormone (FSH) is a polypeptide secreted by gonadotrophs of the anterior pituitary gland that regulates reproduction in mammals. FSH targets a receptor (FSHR) expressed only on grannulosa cells and induce the maturation of ovarian follicles in females. The levels of both FSH and FSH-R rise until the middle of estrus cycle and then it falls on level at the time of ovulation. It is associated with stimulated sertoli cell proliferation in testes and supports spermatogenesis in males. The interactions between the glycoprotein hormones and their corresponding receptors are highly selective. Therefore, it is of interest to inhibit FSH in the context of infertility. Therefore, the structure of FSH (PDB ID: 1XWD) was screened using molecular docking techniques against the ZINC database (a database of 2.7 million compounds) in reference to known standard compounds. This exercise indentified compounds with better binding and ADMET (Absorption, Digestion, Metabolism, Excretion and Toxicity) properties compared to known standard compounds. These observations find application for the consideration of such compounds for further validation towards inhibiting FSH.



FSH, Virtual screening, ADMET Prediction, Antifertility, 1XWD.



Bhogireddy et al.  Bioinformation 9(15): 788-791 (2013)


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P Kangueane






Biomedical Informatics



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