TY - JOUR
T1 - Molecular modeling and in vitro studies to assess solubility enhancement of nevirapine by solid dispersion technique
AU - Rao, Monica Raghavendra Prasad
AU - Sonawane, Ashwini Sanjay
AU - Sapate, Sharwari Alhad
AU - Mehta, Chetan Hasmukh
AU - Nayak, Usha Yogendra
N1 - Funding Information:
The authors would like to acknowledge the support provided by Dr. Ashwini R Madgulkar, Principal, AISSMS College of Pharmacy, Pune, India.The authors are thankful to the Department of Pharmaceutics, Manipal College of Pharmaceutical Sciences facilitating the computer simulations. The authors are thankful to DST-SERB, New Delhi for providing financial assistance to Dr. Usha Y Nayak to procure computers for Schrodinger's Software (EMR/2016/007006). The authors are thankful to the Indian Council for Medical Research, Government of India, New Delhi for granting a Senior Research Fellowship (ICMR No. – 45/18/2020-Nan/BMS) to Mr. ChetanHasmukh Mehta.
Publisher Copyright:
© 2022
PY - 2023/2/5
Y1 - 2023/2/5
N2 - Aim of this study was to improve nevirapine solubility using solid dispersion technique and applying molecular modeling to assess drug-polymer interactions.Solid dispersions were prepared usingEudragit S100 and HPMC K4M by solvent evaporation. Schrodinger 2021-3 softwarewas used to compute solubility parameters and drug polymer interactions. Spectral and thermal studies were used to evaluate interaction of nevirapine with polymers. Saturation solubility and dissolution studies were performed. FTIR and PXRD investigations revealed amorphization of NVP in solid dispersions. DSC thermograms further confirmed this. NVP-HPMC K4M solid dispersion displayed significantly higher solubility than with Eudragit S100 (ES100). Hansen and Hildebrand solubility parameters revealed greater affinity of NVP with HPMC K4M than with ES100. Interaction studies revealedgreater number of hydrogen bonds between NVP and HPMC K4M than with ES 100. In vitro and molecular modeling studies thus revealed that NVP showed higher solubility with HPMC K4M than with ES100.
AB - Aim of this study was to improve nevirapine solubility using solid dispersion technique and applying molecular modeling to assess drug-polymer interactions.Solid dispersions were prepared usingEudragit S100 and HPMC K4M by solvent evaporation. Schrodinger 2021-3 softwarewas used to compute solubility parameters and drug polymer interactions. Spectral and thermal studies were used to evaluate interaction of nevirapine with polymers. Saturation solubility and dissolution studies were performed. FTIR and PXRD investigations revealed amorphization of NVP in solid dispersions. DSC thermograms further confirmed this. NVP-HPMC K4M solid dispersion displayed significantly higher solubility than with Eudragit S100 (ES100). Hansen and Hildebrand solubility parameters revealed greater affinity of NVP with HPMC K4M than with ES100. Interaction studies revealedgreater number of hydrogen bonds between NVP and HPMC K4M than with ES 100. In vitro and molecular modeling studies thus revealed that NVP showed higher solubility with HPMC K4M than with ES100.
UR - https://www.scopus.com/pages/publications/85140317775
UR - https://www.scopus.com/pages/publications/85140317775#tab=citedBy
U2 - 10.1016/j.molstruc.2022.134373
DO - 10.1016/j.molstruc.2022.134373
M3 - Article
AN - SCOPUS:85140317775
SN - 0022-2860
VL - 1273
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
M1 - 134373
ER -