4.MOLECULAR DOCKING STUDY ON ANISOMELES INDICA LINN. WILD ETHNOMEDICINAL PLANT FOR THERAPEUTIC PURPOSE By N. B. PATEL AND K. C. PATEL

Abstract

There is a growing focus on the importance of medicinal plants and traditional health systems in solving
the health care problems of the world. Because of this awareness, the international trade in plants of
medical importance is growing phenomenally, often to the detriment of natural habitats and mother
populations in the countries of origin. There are over a hundred chemical substances that have been derived
from plants for use as drugs and medicines. Herbal drugs constitute a major share of all the officially
recognised systems of health in India viz. Ayurveda, Yoga, Unani, Siddha, Homeopathy and Naturopathy,
except Allopathy. More than 70% of India’s 1.1 billion populations still use these non-allopathic systems
of medicine. Currently, there is no separate category of herbal drugs or dietary supplements, as per the
Indian Drugs Act. Anisomeles indica Linn. (Family: Lamiaceae / Labiatae) is found throughout tropical and
subtropical region of India. The plant is used in folk medicine as a cure in gastric catarrh and intermittent
fever. Essential oil present in herb is used in uterine affection. A. indica Linn. is reported to have
antipyretic, analgesic, anti-inflammatory activity and it also acts as natural herbicide in wheat fields. It is
also reported that the leaves of A. indica consists of diterpenoids, ovatodiolide and its derivatives that are
used as HIV inhibitors. Roots contain stigmasterol, K-sitosterol, paraffins and fatty acids. In India, the
plant is used as a carminative and as aromatics. As a result of indiscriminate use of antimicrobial drugs in
the treatment of infectious diseases, microorganisms have developed resistance to many antibiotics. There
is need to develop alternative antibiotic drugs from plants. One approach is to screen local medicinal
plants, which represent rich source of novel antimicrobial agents. In present work an attempt has been
carried out to evaluate anti-HIV, anti-malarial, anti-cancer and anti-TB action of such species. Medicinal
plants containing natural and its synthesize chemical compound belonging to two research targets (Mitogen-activated protein kinase for cancer and Thymidine monophosphate kinase for TB) and two successful targets (HIV protease for HIV and Enoyl-ACP reductase for malaria). Beside that ligand library
compounds were also examined for drug likeness. Molecular docking studies were carried out with
docking programmed.
KEY WORD: Molecular, Docking, Anisomeles Indica, Wild, Ethnomedicinal, Plant, Therapeutic.